5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C13H16N4OS — CID 81316674

IUPAC5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(N)cn2)n1
InChIInChI=1S/C13H16N4OS/c1-13(2,3)10-7-19-12(16-10)17-11(18)9-5-4-8(14)6-15-9/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyUFCQTCMVEFFHQJ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.67
Rot. Bonds2

About 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 81316674) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID81316674
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(N)cn2)n1
InChIInChI=1S/C13H16N4OS/c1-13(2,3)10-7-19-12(16-10)17-11(18)9-5-4-8(14)6-15-9/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyUFCQTCMVEFFHQJ-UHFFFAOYSA-N
XLogP2.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.67
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-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 86975559
4-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 54960547
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-fluoropyridine-2-carboxamide
CID 113323542
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369370

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 81316674) is 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccc(N)cn2)n1.
What is the InChIKey of 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UFCQTCMVEFFHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(2,3)10-7-19-12(16-10)17-11(18)9-5-4-8(14)6-15-9/h4-7H,14H2,1-3H3,(H,16,17,18).
What are the key properties of 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 81316674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).