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

C17H17N3O2S — CID 99819584

IUPAC2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc3sc(C)c(C)n3c2=O)c1
InChIInChI=1S/C17H17N3O2S/c1-10-5-4-6-13(7-10)8-18-15(21)14-9-19-17-20(16(14)22)11(2)12(3)23-17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyVJXZBEUGQFPFTL-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.61
Rot. Bonds3

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

2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 99819584) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID99819584
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc3sc(C)c(C)n3c2=O)c1
InChIInChI=1S/C17H17N3O2S/c1-10-5-4-6-13(7-10)8-18-15(21)14-9-19-17-20(16(14)22)11(2)12(3)23-17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyVJXZBEUGQFPFTL-UHFFFAOYSA-N
XLogP2.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819587
2-benzyl-3-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120525091
2,3-dimethyl-5-oxo-N-(4-phenylbutan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248437
N-(3-fluorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248392
methyl 2-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
CID 53370574
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 127951490
N-[(3-chlorophenyl)methyl]-3-oxo-8-thia-2,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),4,6-triene-4-carboxamide
CID 53029354
2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 75444578
N-(4-chlorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821357
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470183
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 99819584) is 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(CNC(=O)c2cnc3sc(C)c(C)n3c2=O)c1.
What is the InChIKey of 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VJXZBEUGQFPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-5-4-6-13(7-10)8-18-15(21)14-9-19-17-20(16(14)22)11(2)12(3)23-17/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 99819584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).