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

C67H92N20O2S6 — CID 159568949

IUPACethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(C)sc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CC2.CCNc1ncc2c(n1)-c1sc(C)nc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CS2.CCNc1ncc2ccc3nc(C)sc3c2n1
InChIInChI=1S/C12H14N4S.C12H12N4S.2C11H12N4OS.C11H12N4S2.5C2H6/c2*1-3-13-12-14-6-8-4-5-9-11(10(8)16-12)17-7(2)15-9;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;1-3-12-11-13-4-7-9(15-11)10-8(5-16-7)17-6(2)14-10;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;5*1-2/h6H,3-5H2,1-2H3,(H,13,14,16);4-6H,3H2,1-2H3,(H,13,14,16);3*4H,3,5H2,1-2H3,(H,12,13,15);5*1-2H3
InChIKeyMHOJUUWHORDVAS-UHFFFAOYSA-N
MW1402.01 g/mol
LogP17.96
Rot. Bonds10

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

ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 159568949) has the molecular formula C67H92N20O2S6 and a molecular weight of 1402.01 g/mol. Its IUPAC name is ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID159568949
Molecular FormulaC67H92N20O2S6
Molecular Weight1402.01 g/mol
Exact Mass1400.60
IUPAC Nameethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(C)sc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CC2.CCNc1ncc2c(n1)-c1sc(C)nc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CS2.CCNc1ncc2ccc3nc(C)sc3c2n1
InChIInChI=1S/C12H14N4S.C12H12N4S.2C11H12N4OS.C11H12N4S2.5C2H6/c2*1-3-13-12-14-6-8-4-5-9-11(10(8)16-12)17-7(2)15-9;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;1-3-12-11-13-4-7-9(15-11)10-8(5-16-7)17-6(2)14-10;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;5*1-2/h6H,3-5H2,1-2H3,(H,13,14,16);4-6H,3H2,1-2H3,(H,13,14,16);3*4H,3,5H2,1-2H3,(H,12,13,15);5*1-2H3
InChIKeyMHOJUUWHORDVAS-UHFFFAOYSA-N
XLogP17.96
TPSA271.96 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001402.01
LogP ≤ 517.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 159568949) is ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine is CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(C)sc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CC2.CCNc1ncc2c(n1)-c1sc(C)nc1CO2.CCNc1ncc2c(n1)-c1sc(C)nc1CS2.CCNc1ncc2ccc3nc(C)sc3c2n1.
What is the InChIKey of ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is MHOJUUWHORDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S.C12H12N4S.2C11H12N4OS.C11H12N4S2.5C2H6/c2*1-3-13-12-14-6-8-4-5-9-11(10(8)16-12)17-7(2)15-9;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;1-3-12-11-13-4-7-9(15-11)10-8(5-16-7)17-6(2)14-10;1-3-12-11-13-4-8-9(15-11)10-7(5-16-8)14-6(2)17-10;5*1-2/h6H,3-5H2,1-2H3,(H,13,14,16);4-6H,3H2,1-2H3,(H,13,14,16);3*4H,3,5H2,1-2H3,(H,12,13,15);5*1-2H3.
What are the key properties of ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 1402.01 g/mol, XLogP of 17.96, 10 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N-ethyl-4-methyl-3,8-dithia-5,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-12-amine;N-ethyl-4-methyl-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-ethyl-4-methyl-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-ethyl-2-methyl-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 159568949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).