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

C18H15N3OS3 — CID 33340761

IUPAC3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(CSc3nc4ccsc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C18H15N3OS3/c1-11-3-5-12(6-4-11)16-19-13(9-24-16)10-25-18-20-14-7-8-23-15(14)17(22)21(18)2/h3-9H,10H2,1-2H3
InChIKeyGMTJNBBNGFQHGJ-UHFFFAOYSA-N
MW385.54 g/mol
LogP4.72
Rot. Bonds4

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

3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33340761) has the molecular formula C18H15N3OS3 and a molecular weight of 385.54 g/mol. Its IUPAC name is 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33340761
Molecular FormulaC18H15N3OS3
Molecular Weight385.54 g/mol
Exact Mass385.04
IUPAC Name3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc(CSc3nc4ccsc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C18H15N3OS3/c1-11-3-5-12(6-4-11)16-19-13(9-24-16)10-25-18-20-14-7-8-23-15(14)17(22)21(18)2/h3-9H,10H2,1-2H3
InChIKeyGMTJNBBNGFQHGJ-UHFFFAOYSA-N
XLogP4.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33337407
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31273719
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 19726756
3-methyl-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
CID 35194544
3-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33345743
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
5-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 33351933
2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 122159383
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46666436
3-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 17426145

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 33340761) is 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccc(-c2nc(CSc3nc4ccsc4c(=O)n3C)cs2)cc1.
What is the InChIKey of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GMTJNBBNGFQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS3/c1-11-3-5-12(6-4-11)16-19-13(9-24-16)10-25-18-20-14-7-8-23-15(14)17(22)21(18)2/h3-9H,10H2,1-2H3.
What are the key properties of 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 385.54 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33340761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).