3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H19N3O2S — CID 51564201

IUPAC3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(=O)n12
InChIInChI=1S/C18H19N3O2S/c1-12(8-9-14-6-4-3-5-7-14)20-16(22)15-10-19-18-21(17(15)23)13(2)11-24-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyOFIVBVDXKLRMEI-GFCCVEGCSA-N
MW341.44 g/mol
LogP2.82
Rot. Bonds5

About 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51564201) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51564201
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(=O)n12
InChIInChI=1S/C18H19N3O2S/c1-12(8-9-14-6-4-3-5-7-14)20-16(22)15-10-19-18-21(17(15)23)13(2)11-24-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyOFIVBVDXKLRMEI-GFCCVEGCSA-N
XLogP2.82
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-5-oxo-N-(4-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248437
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
3-oxo-N-(4-phenylbutan-2-yl)-8-thia-2,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-triene-4-carboxamide
CID 53029332
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177
2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 120533378
N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469794
3-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3442036
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51564201) is 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OFIVBVDXKLRMEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(8-9-14-6-4-3-5-7-14)20-16(22)15-10-19-18-21(17(15)23)13(2)11-24-18/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.82, 5 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-[(2R)-4-phenylbutan-2-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51564201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).