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

C17H14ClN3OS — CID 110330056

IUPACN-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)20-16(22)6-5-15-11-23-17(21-15)12-7-9-19-10-8-12/h1-4,7-11H,5-6H2,(H,20,22)
InChIKeyMJUXDRKMYSIJMT-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.43
Rot. Bonds5

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

N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110330056) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110330056
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)20-16(22)6-5-15-11-23-17(21-15)12-7-9-19-10-8-12/h1-4,7-11H,5-6H2,(H,20,22)
InChIKeyMJUXDRKMYSIJMT-UHFFFAOYSA-N
XLogP4.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110608052
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110330056) is N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccncc2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is MJUXDRKMYSIJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-13-1-3-14(4-2-13)20-16(22)6-5-15-11-23-17(21-15)12-7-9-19-10-8-12/h1-4,7-11H,5-6H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 343.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110330056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).