N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C17H17N3O3S2 — CID 20961915

IUPACN-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-20-16(22)7-13(19-17(20)25-11)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyIEQIPOUNGINJKX-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961915) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961915
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-20-16(22)7-13(19-17(20)25-11)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyIEQIPOUNGINJKX-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

2-({3-ethyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 6624353
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
4,5-Dihydro-N-(4-methoxyphenyl)-5-methyl-2-thiazolamine
CID 613778
2-(P-Anisidino)-2-thiazoline
CID 291787
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
3-Ethyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1209200
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxamide
CID 3154428
N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386612
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-[(4-hydroxy-2-pyrimidinyl)thio]-N-(4-phenoxyphenyl)acetamide
CID 1299166
4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2725186

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961915) is N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is IEQIPOUNGINJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-8-20-16(22)7-13(19-17(20)25-11)9-24-10-15(21)18-12-3-5-14(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).