3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

C16H22N4OS — CID 90572070

IUPAC3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCC1CCCC1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C16H22N4OS/c21-15(7-6-13-4-1-2-5-13)17-10-8-14-12-22-16(19-14)20-11-3-9-18-20/h3,9,11-13H,1-2,4-8,10H2,(H,17,21)
InChIKeyGAXLKICTLVSQDM-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.96
Rot. Bonds7

About 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 90572070) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID90572070
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCC1CCCC1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C16H22N4OS/c21-15(7-6-13-4-1-2-5-13)17-10-8-14-12-22-16(19-14)20-11-3-9-18-20/h3,9,11-13H,1-2,4-8,10H2,(H,17,21)
InChIKeyGAXLKICTLVSQDM-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572154
2-(4-fluorophenyl)sulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 71802213
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71802240
1-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90572245
2-[(12R)-2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl]-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97107351
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 90572226

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 90572070) is 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCC1CCCC1)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is GAXLKICTLVSQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-15(7-6-13-4-1-2-5-13)17-10-8-14-12-22-16(19-14)20-11-3-9-18-20/h3,9,11-13H,1-2,4-8,10H2,(H,17,21).
What are the key properties of 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 318.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 90572070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).