2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one

C11H9N3OS3 — CID 135767729

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc(SCc2nc3ccsc3c(=O)[nH]2)n1
InChIInChI=1S/C11H9N3OS3/c1-6-4-17-11(12-6)18-5-8-13-7-2-3-16-9(7)10(15)14-8/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyIMXKFMOGGSALHN-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.04
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135767729) has the molecular formula C11H9N3OS3 and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135767729
Molecular FormulaC11H9N3OS3
Molecular Weight295.41 g/mol
Exact Mass294.99
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc(SCc2nc3ccsc3c(=O)[nH]2)n1
InChIInChI=1S/C11H9N3OS3/c1-6-4-17-11(12-6)18-5-8-13-7-2-3-16-9(7)10(15)14-8/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyIMXKFMOGGSALHN-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2084568
5-methyl-2-thiophen-2-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733041
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 3238025
2-methyl-N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)thiazole-4-carboxamide
CID 91632356
2-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266192
6-acetyl-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2504325
Sdccgsbi-0661664.P001
CID 4882329
5,6-dimethyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 4882685
5,6-dimethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 16385056
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 16618746
3-[(2-isopropyl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
CID 38876068
5,6-dimethyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 53516856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135767729) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one is Cc1csc(SCc2nc3ccsc3c(=O)[nH]2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IMXKFMOGGSALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS3/c1-6-4-17-11(12-6)18-5-8-13-7-2-3-16-9(7)10(15)14-8/h2-4H,5H2,1H3,(H,13,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 295.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135767729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).