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

C17H13N3OS3 — CID 33337407

IUPAC3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCc2csc(-c3ccccc3)n2)nc2ccsc2c1=O
InChIInChI=1S/C17H13N3OS3/c1-20-16(21)14-13(7-8-22-14)19-17(20)24-10-12-9-23-15(18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyXLEXMFCZMMWXRD-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.41
Rot. Bonds4

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

3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33337407) has the molecular formula C17H13N3OS3 and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33337407
Molecular FormulaC17H13N3OS3
Molecular Weight371.51 g/mol
Exact Mass371.02
IUPAC Name3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCc2csc(-c3ccccc3)n2)nc2ccsc2c1=O
InChIInChI=1S/C17H13N3OS3/c1-20-16(21)14-13(7-8-22-14)19-17(20)24-10-12-9-23-15(18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyXLEXMFCZMMWXRD-UHFFFAOYSA-N
XLogP4.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[(2-phenyl-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-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33340761
3-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 17426145
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
3-methyl-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
CID 35194544
4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7995484
2-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 33337718
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31273719
2-[(2-ethoxyphenyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 17409555
3-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33345743
2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-3-methylthieno[3,2-d]pyrimidin-4-one
CID 122159383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 33337407) is 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is Cn1c(SCc2csc(-c3ccccc3)n2)nc2ccsc2c1=O.
What is the InChIKey of 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XLEXMFCZMMWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS3/c1-20-16(21)14-13(7-8-22-14)19-17(20)24-10-12-9-23-15(18-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 371.51 g/mol, XLogP of 4.41, 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-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33337407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).