3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

C18H16ClN3OS — CID 108749175

IUPAC3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H16ClN3OS/c19-15-4-1-13(2-5-15)3-6-17(23)21-11-16-12-24-18(22-16)14-7-9-20-10-8-14/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,23)
InChIKeyKFUAKODOUASTGB-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.11
Rot. Bonds6

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

3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108749175) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108749175
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H16ClN3OS/c19-15-4-1-13(2-5-15)3-6-17(23)21-11-16-12-24-18(22-16)14-7-9-20-10-8-14/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,23)
InChIKeyKFUAKODOUASTGB-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108771045
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242
3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 91788805
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 108749175) is 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is KFUAKODOUASTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-15-4-1-13(2-5-15)3-6-17(23)21-11-16-12-24-18(22-16)14-7-9-20-10-8-14/h1-2,4-5,7-10,12H,3,6,11H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 357.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108749175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).