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

C20H22N4OS — CID 168858531

IUPACN-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCCC1
InChIInChI=1S/C20H22N4OS/c1-2-23(16-8-6-7-9-16)20(25)18-14-26-19(22-18)15-12-21-24(13-15)17-10-4-3-5-11-17/h3-5,10-14,16H,2,6-9H2,1H3
InChIKeyBXXNTVROMAZYFU-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.40
Rot. Bonds5

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

N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 168858531) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID168858531
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCCC1
InChIInChI=1S/C20H22N4OS/c1-2-23(16-8-6-7-9-16)20(25)18-14-26-19(22-18)15-12-21-24(13-15)17-10-4-3-5-11-17/h3-5,10-14,16H,2,6-9H2,1H3
InChIKeyBXXNTVROMAZYFU-UHFFFAOYSA-N
XLogP4.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858565
[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858604
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
N-(2-hydroxyethyl)-N-(2-phenylethyl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86943521
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
6-methyl-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122113740
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119486756
N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 168890470
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119541911
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 N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 168858531) is N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BXXNTVROMAZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-23(16-8-6-7-9-16)20(25)18-14-26-19(22-18)15-12-21-24(13-15)17-10-4-3-5-11-17/h3-5,10-14,16H,2,6-9H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168858531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).