5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid

C14H15N3O3S — CID 60725123

IUPAC5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)10-7-21-13(16-10)17-11(18)8-4-5-9(12(19)20)15-6-8/h4-7H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyDBQXFTUDSRRPDI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.79
Rot. Bonds3

About 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid

5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 60725123) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID60725123
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(C(=O)O)nc2)n1
InChIInChI=1S/C14H15N3O3S/c1-14(2,3)10-7-21-13(16-10)17-11(18)8-4-5-9(12(19)20)15-6-8/h4-7H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyDBQXFTUDSRRPDI-UHFFFAOYSA-N
XLogP2.79
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 81316674
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
5-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113246377
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 60725123) is 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)O)nc2)n1.
What is the InChIKey of 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DBQXFTUDSRRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-14(2,3)10-7-21-13(16-10)17-11(18)8-4-5-9(12(19)20)15-6-8/h4-7H,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 60725123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).