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

C23H22N4O2S — CID 86943521

IUPACN-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(CCO)CCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c28-14-13-26(12-11-18-7-3-1-4-8-18)23(29)21-17-30-22(25-21)19-15-24-27(16-19)20-9-5-2-6-10-20/h1-10,15-17,28H,11-14H2
InChIKeyHNQDMXBGGWKXIZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.67
Rot. Bonds8

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

N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86943521) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID86943521
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(CCO)CCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c28-14-13-26(12-11-18-7-3-1-4-8-18)23(29)21-17-30-22(25-21)19-15-24-27(16-19)20-9-5-2-6-10-20/h1-10,15-17,28H,11-14H2
InChIKeyHNQDMXBGGWKXIZ-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
ethane;2-(1-phenylpyrazol-4-yl)-N-propyl-N-sulfanyl-1,3-thiazole-4-carboxamide;pyrrolidine
CID 168890493
N-[2-(2-aminoethoxy)ethyl]-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858520
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
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
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035
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
N-(1-amino-4-methylpentan-2-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 119588329
methyl 3-[benzyl-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 55788913

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 86943521) is N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N(CCO)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HNQDMXBGGWKXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-14-13-26(12-11-18-7-3-1-4-8-18)23(29)21-17-30-22(25-21)19-15-24-27(16-19)20-9-5-2-6-10-20/h1-10,15-17,28H,11-14H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86943521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).