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

C23H18ClN3OS — CID 108748675

IUPAC3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H18ClN3OS/c24-19-7-4-16(5-8-19)6-9-22(28)26-20-3-1-2-18(14-20)21-15-29-23(27-21)17-10-12-25-13-11-17/h1-5,7-8,10-15H,6,9H2,(H,26,28)
InChIKeyIAUQESUGAPJUBA-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.10
Rot. Bonds6

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

3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108748675) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108748675
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC Name3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H18ClN3OS/c24-19-7-4-16(5-8-19)6-9-22(28)26-20-3-1-2-18(14-20)21-15-29-23(27-21)17-10-12-25-13-11-17/h1-5,7-8,10-15H,6,9H2,(H,26,28)
InChIKeyIAUQESUGAPJUBA-UHFFFAOYSA-N
XLogP6.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108748675) is 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is O=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is IAUQESUGAPJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c24-19-7-4-16(5-8-19)6-9-22(28)26-20-3-1-2-18(14-20)21-15-29-23(27-21)17-10-12-25-13-11-17/h1-5,7-8,10-15H,6,9H2,(H,26,28).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 419.94 g/mol, XLogP of 6.10, 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-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108748675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).