2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

C16H15ClN4OS — CID 90572154

IUPAC2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C16H15ClN4OS/c17-13-4-2-12(3-5-13)10-15(22)18-8-6-14-11-23-16(20-14)21-9-1-7-19-21/h1-5,7,9,11H,6,8,10H2,(H,18,22)
InChIKeyPIJVPDDJIHDVQU-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.88
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 90572154) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID90572154
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C16H15ClN4OS/c17-13-4-2-12(3-5-13)10-15(22)18-8-6-14-11-23-16(20-14)21-9-1-7-19-21/h1-5,7,9,11H,6,8,10H2,(H,18,22)
InChIKeyPIJVPDDJIHDVQU-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
5-chloro-2-nitro-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572124
2-(4-fluorophenyl)sulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 71802213
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
1-(3,4-dichlorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 90572226
3-cyclopentyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 90572070
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71802240

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 90572154) is 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is PIJVPDDJIHDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c17-13-4-2-12(3-5-13)10-15(22)18-8-6-14-11-23-16(20-14)21-9-1-7-19-21/h1-5,7,9,11H,6,8,10H2,(H,18,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 90572154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).