2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

C19H22ClN5OS — CID 119537526

IUPAC2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C19H21N5OS.ClH/c25-18(21-9-7-14-6-8-20-10-14)17-13-26-19(23-17)15-11-22-24(12-15)16-4-2-1-3-5-16;/h1-5,11-14,20H,6-10H2,(H,21,25);1H
InChIKeyAGUSPTYQEDEOFW-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.15
Rot. Bonds6

About 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119537526) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119537526
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C19H21N5OS.ClH/c25-18(21-9-7-14-6-8-20-10-14)17-13-26-19(23-17)15-11-22-24(12-15)16-4-2-1-3-5-16;/h1-5,11-14,20H,6-10H2,(H,21,25);1H
InChIKeyAGUSPTYQEDEOFW-UHFFFAOYSA-N
XLogP3.15
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-morpholin-2-yl]methyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858537
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858520
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
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
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119537008

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119537526) is 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is AGUSPTYQEDEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.ClH/c25-18(21-9-7-14-6-8-20-10-14)17-13-26-19(23-17)15-11-22-24(12-15)16-4-2-1-3-5-16;/h1-5,11-14,20H,6-10H2,(H,21,25);1H.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119537526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).