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

C18H16ClN3OS — CID 110317539

IUPAC2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H16ClN3OS/c19-14-6-4-13(5-7-14)11-17(23)21-10-8-18-22-16(12-24-18)15-3-1-2-9-20-15/h1-7,9,12H,8,10-11H2,(H,21,23)
InChIKeyRINNXNIUMFSQKZ-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.76
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110317539) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110317539
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H16ClN3OS/c19-14-6-4-13(5-7-14)11-17(23)21-10-8-18-22-16(12-24-18)15-3-1-2-9-20-15/h1-7,9,12H,8,10-11H2,(H,21,23)
InChIKeyRINNXNIUMFSQKZ-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 167856468
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 110317539) is 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is RINNXNIUMFSQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-14-6-4-13(5-7-14)11-17(23)21-10-8-18-22-16(12-24-18)15-3-1-2-9-20-15/h1-7,9,12H,8,10-11H2,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 357.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110317539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).