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

C19H18ClN3OS — CID 110624995

IUPAC3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H18ClN3OS/c20-16-3-1-2-14(12-16)4-5-18(24)22-11-8-17-13-25-19(23-17)15-6-9-21-10-7-15/h1-3,6-7,9-10,12-13H,4-5,8,11H2,(H,22,24)
InChIKeyPTGLOPZWMXYUKV-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.15
Rot. Bonds7

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

3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110624995) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110624995
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H18ClN3OS/c20-16-3-1-2-14(12-16)4-5-18(24)22-11-8-17-13-25-19(23-17)15-6-9-21-10-7-15/h1-3,6-7,9-10,12-13H,4-5,8,11H2,(H,22,24)
InChIKeyPTGLOPZWMXYUKV-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[2-(3-chlorophenyl)ethyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330549
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110624995) is 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCc1cccc(Cl)c1)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is PTGLOPZWMXYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-16-3-1-2-14(12-16)4-5-18(24)22-11-8-17-13-25-19(23-17)15-6-9-21-10-7-15/h1-3,6-7,9-10,12-13H,4-5,8,11H2,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 371.89 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110624995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).