4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H17N3O4S — CID 120524569

IUPAC4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1csc2ncc(C(=O)NC3CCC(C(=O)O)CC3)c(=O)n12
InChIInChI=1S/C15H17N3O4S/c1-8-7-23-15-16-6-11(13(20)18(8)15)12(19)17-10-4-2-9(3-5-10)14(21)22/h6-7,9-10H,2-5H2,1H3,(H,17,19)(H,21,22)
InChIKeyTXTBIKXNNQOHKF-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.44
Rot. Bonds3

About 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120524569) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120524569
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1csc2ncc(C(=O)NC3CCC(C(=O)O)CC3)c(=O)n12
InChIInChI=1S/C15H17N3O4S/c1-8-7-23-15-16-6-11(13(20)18(8)15)12(19)17-10-4-2-9(3-5-10)14(21)22/h6-7,9-10H,2-5H2,1H3,(H,17,19)(H,21,22)
InChIKeyTXTBIKXNNQOHKF-UHFFFAOYSA-N
XLogP1.44
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470738
3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4065897
4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530058
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4224151
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 120517663
2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 120533378
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120524569) is 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1csc2ncc(C(=O)NC3CCC(C(=O)O)CC3)c(=O)n12.
What is the InChIKey of 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is TXTBIKXNNQOHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-8-7-23-15-16-6-11(13(20)18(8)15)12(19)17-10-4-2-9(3-5-10)14(21)22/h6-7,9-10H,2-5H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).