ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C33H30N10OS3 — CID 143976521

IUPACethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Cc1csc(-c2nc(N)c3cc(Cc4ccccn4)sc3n2)n1.Nc1nc(-c2ncco2)nc2sc(Cc3cccnc3)cc12
InChIInChI=1S/C16H13N5S2.C15H11N5OS.C2H6/c1-9-8-22-16(19-9)14-20-13(17)12-7-11(23-15(12)21-14)6-10-4-2-3-5-18-10;16-12-11-7-10(6-9-2-1-3-17-8-9)22-15(11)20-13(19-12)14-18-4-5-21-14;1-2/h2-5,7-8H,6H2,1H3,(H2,17,20,21);1-5,7-8H,6H2,(H2,16,19,20);1-2H3
InChIKeyOQDWARXKVDHZEK-UHFFFAOYSA-N
MW678.87 g/mol
LogP7.63
Rot. Bonds6

About ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 143976521) has the molecular formula C33H30N10OS3 and a molecular weight of 678.87 g/mol. Its IUPAC name is ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID143976521
Molecular FormulaC33H30N10OS3
Molecular Weight678.87 g/mol
Exact Mass678.18
IUPAC Nameethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC.Cc1csc(-c2nc(N)c3cc(Cc4ccccn4)sc3n2)n1.Nc1nc(-c2ncco2)nc2sc(Cc3cccnc3)cc12
InChIInChI=1S/C16H13N5S2.C15H11N5OS.C2H6/c1-9-8-22-16(19-9)14-20-13(17)12-7-11(23-15(12)21-14)6-10-4-2-3-5-18-10;16-12-11-7-10(6-9-2-1-3-17-8-9)22-15(11)20-13(19-12)14-18-4-5-21-14;1-2/h2-5,7-8H,6H2,1H3,(H2,17,20,21);1-5,7-8H,6H2,(H2,16,19,20);1-2H3
InChIKeyOQDWARXKVDHZEK-UHFFFAOYSA-N
XLogP7.63
TPSA168.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.87
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

US9670204, 40 N-(2-ethyl-6-(4-oxazol-2-ylmethyl)piperazin-1-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78428034
6-Benzyl-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71602915
6-(Morpholin-4-ylmethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278701
2-(2,6-Difluoro-phenyl)-5-(5-methyl-2-oxazol-2-yl-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71603410
[4-amino-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-amino-2-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-N-(2-morpholin-4-ylethyl)-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 160169813
US20250042914, Example 14
CID 168180694
US20250042914, Example 20
CID 168180712
2-(1,3-Oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274516
2-(1,3-Oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274517
2-(1,3-Oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45274518
2-(1,3-Oxazol-5-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274617
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274620

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 143976521) is ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CC.Cc1csc(-c2nc(N)c3cc(Cc4ccccn4)sc3n2)n1.Nc1nc(-c2ncco2)nc2sc(Cc3cccnc3)cc12.
What is the InChIKey of ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OQDWARXKVDHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S2.C15H11N5OS.C2H6/c1-9-8-22-16(19-9)14-20-13(17)12-7-11(23-15(12)21-14)6-10-4-2-3-5-18-10;16-12-11-7-10(6-9-2-1-3-17-8-9)22-15(11)20-13(19-12)14-18-4-5-21-14;1-2/h2-5,7-8H,6H2,1H3,(H2,17,20,21);1-5,7-8H,6H2,(H2,16,19,20);1-2H3.
What are the key properties of ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 678.87 g/mol, XLogP of 7.63, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143976521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).