N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane

C86H122N24O2S8 — CID 159301463

IUPACN,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2c(n1)-c1sc(CC)nc1CO2.CCNc1ncc2c(n1)-c1sc(CC)nc1CS2.CCNc1ncc2ccc3nc(CC)sc3c2n1
InChIInChI=1S/C13H16N4S.C13H14N4S.2C12H14N4OS.2C12H14N4S2.6C2H6/c2*1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;6*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);4*5H,3-4,6H2,1-2H3,(H,13,14,16);6*1-2H3
InChIKeyLBJUBCFHEJRJCA-UHFFFAOYSA-N
MW1780.62 g/mol
LogP23.46
Rot. Bonds18

About N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane

N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane (PubChem CID 159301463) has the molecular formula C86H122N24O2S8 and a molecular weight of 1780.62 g/mol. Its IUPAC name is N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane.

Molecular Properties

Compound NameN,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane
PubChem CID159301463
Molecular FormulaC86H122N24O2S8
Molecular Weight1780.62 g/mol
Exact Mass1778.79
IUPAC NameN,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2c(n1)-c1sc(CC)nc1CO2.CCNc1ncc2c(n1)-c1sc(CC)nc1CS2.CCNc1ncc2ccc3nc(CC)sc3c2n1
InChIInChI=1S/C13H16N4S.C13H14N4S.2C12H14N4OS.2C12H14N4S2.6C2H6/c2*1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;6*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);4*5H,3-4,6H2,1-2H3,(H,13,14,16);6*1-2H3
InChIKeyLBJUBCFHEJRJCA-UHFFFAOYSA-N
XLogP23.46
TPSA322.66 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001780.62
LogP ≤ 523.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane?
The IUPAC name of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane (CID 159301463) is N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane.
What is the SMILES notation for N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane?
The canonical SMILES for N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane is CC.CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2c(n1)-c1sc(CC)nc1CO2.CCNc1ncc2c(n1)-c1sc(CC)nc1CS2.CCNc1ncc2ccc3nc(CC)sc3c2n1.
What is the InChIKey of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane?
The InChIKey is LBJUBCFHEJRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S.C13H14N4S.2C12H14N4OS.2C12H14N4S2.6C2H6/c2*1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;1-3-9-15-7-6-17-8-5-14-12(13-4-2)16-10(8)11(7)18-9;1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;6*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);4*5H,3-4,6H2,1-2H3,(H,13,14,16);6*1-2H3.
What are the key properties of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane?
N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane has a molecular weight of 1780.62 g/mol, XLogP of 23.46, 18 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,4-diethyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-5,8-dithia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-3-thia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N,4-diethyl-8-oxa-5-thia-3,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-amine;N,2-diethyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine;ethane is sourced from PubChem (CID 159301463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).