N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 47343734

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-6-13-7)11(17)14-9-5-8(15-16-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyPSYUOZMMXZGNCF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.72
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47343734) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47343734
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H16N4OS/c1-7-10(18-6-13-7)11(17)14-9-5-8(15-16-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyPSYUOZMMXZGNCF-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopentyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 56793428
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 71971446
N-(5-ethyl-1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 137955843
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554412
N-(2,5-ditert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 136537752
4-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 136575219
2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47405033
N-(6-tert-butylpyridazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 56792441
(E)-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 75534669
N-[5-(3-acetamidocyclobutyl)-1H-pyrazol-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 69761540
N-[5-[3-[acetyl(methyl)amino]cyclobutyl]-1H-pyrazol-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 69762325
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 154664721

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47343734) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PSYUOZMMXZGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-10(18-6-13-7)11(17)14-9-5-8(15-16-9)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47343734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).