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

C19H18ClN3OS — CID 55582407

IUPACN-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3OS/c1-2-16(13-6-5-7-14(20)10-13)23-18(24)11-15-12-25-19(22-15)17-8-3-4-9-21-17/h3-10,12,16H,2,11H2,1H3,(H,23,24)
InChIKeyXRKCEDOXKXGFIQ-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.67
Rot. Bonds6

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

N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55582407) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55582407
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCC(NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3OS/c1-2-16(13-6-5-7-14(20)10-13)23-18(24)11-15-12-25-19(22-15)17-8-3-4-9-21-17/h3-10,12,16H,2,11H2,1H3,(H,23,24)
InChIKeyXRKCEDOXKXGFIQ-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26193084
N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
N-[1-(3-chlorophenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55582083
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-[1-(3-chlorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205987
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 55582407) is N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCC(NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is XRKCEDOXKXGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-2-16(13-6-5-7-14(20)10-13)23-18(24)11-15-12-25-19(22-15)17-8-3-4-9-21-17/h3-10,12,16H,2,11H2,1H3,(H,23,24).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 371.89 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55582407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).