2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C16H16N4OS — CID 176630308

IUPAC2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C16H16N4OS/c1-11(2)18-15(21)14-10-22-16(19-14)12-8-17-20(9-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)
InChIKeySQGZEZPRTFMCNG-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.13
Rot. Bonds4

About 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 176630308) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID176630308
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C16H16N4OS/c1-11(2)18-15(21)14-10-22-16(19-14)12-8-17-20(9-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)
InChIKeySQGZEZPRTFMCNG-UHFFFAOYSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858520
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56576076
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858604
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56522308
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56578206
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-[[(2R)-morpholin-2-yl]methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858537
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 176630308) is 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SQGZEZPRTFMCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(2)18-15(21)14-10-22-16(19-14)12-8-17-20(9-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 176630308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).