3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H15N3O2S — CID 4182430

IUPAC3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCc3ccccc3)c(=O)n12
InChIInChI=1S/C16H15N3O2S/c1-11-10-22-16-18-9-13(15(21)19(11)16)14(20)17-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,20)
InChIKeyXTSLVSIRZNMMGB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.04
Rot. Bonds4

About 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4182430) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4182430
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCc3ccccc3)c(=O)n12
InChIInChI=1S/C16H15N3O2S/c1-11-10-22-16-18-9-13(15(21)19(11)16)14(20)17-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,20)
InChIKeyXTSLVSIRZNMMGB-UHFFFAOYSA-N
XLogP2.04
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853372
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
N-benzyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235738
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 2999100
N-(3,3-diphenylpropyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255536
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
N-(2-ethylphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3561054
N-(3,3-diphenylpropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4062159
3-methyl-5-oxo-N-(m-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4112639

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4182430) is 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCc3ccccc3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XTSLVSIRZNMMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-10-22-16-18-9-13(15(21)19(11)16)14(20)17-8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,20).
What are the key properties of 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4182430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).