N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane
C73H104N20OS6 — CID 159950018
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane
SMILESCC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CC2.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2ccc3sc(CC)nc3c2n1
InChIInChI=1S/C13H16N4S.C13H14N4S.C13H16N4S.C12H14N4OS.C12H14N4S2.5C2H6/c2*1-3-10-16-12-9(18-10)6-5-8-7-15-13(14-4-2)17-11(8)12;1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;2*1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;5*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);7H,3-6H2,1-2H3,(H,14,15,17);2*5H,3-4,6H2,1-2H3,(H,13,14,16);5*1-2H3
InChIKeyOBZHAPPNGRRPEU-UHFFFAOYSA-N
MW1470.18 g/mol
LogP19.44
Rot. Bonds15
About N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane
N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane (PubChem CID 159950018) has the molecular formula C73H104N20OS6 and a molecular weight of 1470.18 g/mol. Its IUPAC name is N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane.
Molecular Properties
| Compound Name | N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane |
|---|---|
| PubChem CID | 159950018 |
| Molecular Formula | C73H104N20OS6 |
| Molecular Weight | 1470.18 g/mol |
| Exact Mass | 1468.70 |
| IUPAC Name | N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane |
| SMILES | CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CC2.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2ccc3sc(CC)nc3c2n1 |
| InChI | InChI=1S/C13H16N4S.C13H14N4S.C13H16N4S.C12H14N4OS.C12H14N4S2.5C2H6/c2*1-3-10-16-12-9(18-10)6-5-8-7-15-13(14-4-2)17-11(8)12;1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;2*1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;5*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);7H,3-6H2,1-2H3,(H,14,15,17);2*5H,3-4,6H2,1-2H3,(H,13,14,16);5*1-2H3 |
| InChIKey | OBZHAPPNGRRPEU-UHFFFAOYSA-N |
| XLogP | 19.44 |
| TPSA | 262.73 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 100 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1470.18 |
| LogP ≤ 5 | 19.44 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |
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,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-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,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane (CID 159950018) is N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-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,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-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,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane is CC.CC.CC.CC.CC.CCNc1ncc2c(n1)-c1nc(CC)sc1CC2.CCNc1ncc2c(n1)-c1nc(CC)sc1CO2.CCNc1ncc2c(n1)-c1nc(CC)sc1CS2.CCNc1ncc2c(n1)-c1sc(CC)nc1CC2.CCNc1ncc2ccc3sc(CC)nc3c2n1.
What is the InChIKey of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane?
The InChIKey is OBZHAPPNGRRPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S.C13H14N4S.C13H16N4S.C12H14N4OS.C12H14N4S2.5C2H6/c2*1-3-10-16-12-9(18-10)6-5-8-7-15-13(14-4-2)17-11(8)12;1-3-10-16-9-6-5-8-7-15-13(14-4-2)17-11(8)12(9)18-10;2*1-3-9-15-11-8(18-9)6-17-7-5-14-12(13-4-2)16-10(7)11;5*1-2/h7H,3-6H2,1-2H3,(H,14,15,17);5-7H,3-4H2,1-2H3,(H,14,15,17);7H,3-6H2,1-2H3,(H,14,15,17);2*5H,3-4,6H2,1-2H3,(H,13,14,16);5*1-2H3.
What are the key properties of N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane?
N,2-diethyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine;N,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane has a molecular weight of 1470.18 g/mol, XLogP of 19.44, 15 rotatable bonds, 5 hydrogen bond donors, and 27 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,2-diethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-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-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[5,4-h]quinazolin-8-amine;ethane is sourced from PubChem (CID 159950018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159950018 — identifiers, structure, computed properties (public domain)
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