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

C13H16N4OS — CID 82342389

IUPACN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1nc(NC(=O)c2cccnc2)sc1N
InChIInChI=1S/C13H16N4OS/c1-13(2,3)9-10(14)19-12(16-9)17-11(18)8-5-4-6-15-7-8/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyNSFNBBYEGWJTKR-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.67
Rot. Bonds2

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

N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 82342389) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID82342389
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1nc(NC(=O)c2cccnc2)sc1N
InChIInChI=1S/C13H16N4OS/c1-13(2,3)9-10(14)19-12(16-9)17-11(18)8-5-4-6-15-7-8/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyNSFNBBYEGWJTKR-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-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 14700265
N-[5-(methylamino)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 71416829
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 121082936
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 4178548

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 82342389) is N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is CC(C)(C)c1nc(NC(=O)c2cccnc2)sc1N.
What is the InChIKey of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is NSFNBBYEGWJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(2,3)9-10(14)19-12(16-9)17-11(18)8-5-4-6-15-7-8/h4-7H,14H2,1-3H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-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 N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 82342389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).