(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide

C19H16ClN3O2S — CID 147992779

IUPAC(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-12(13-2-4-14(20)5-3-13)19(25)23-16-7-6-15(21-9-16)8-18(24)17-10-26-11-22-17/h2-7,9-12H,8H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyIVKDSLHEXFBENH-GFCCVEGCSA-N
MW385.88 g/mol
LogP4.36
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide

(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide (PubChem CID 147992779) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide
PubChem CID147992779
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-12(13-2-4-14(20)5-3-13)19(25)23-16-7-6-15(21-9-16)8-18(24)17-10-26-11-22-17/h2-7,9-12H,8H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyIVKDSLHEXFBENH-GFCCVEGCSA-N
XLogP4.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate
CID 159121902
(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146871892
2-(3-chlorophenyl)-N-[4-methyl-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-6-yl]propanamide
CID 160978414
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
CID 130610113
2-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116846979
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide (CID 147992779) is (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide is C[C@@H](C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide?
The InChIKey is IVKDSLHEXFBENH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12(13-2-4-14(20)5-3-13)19(25)23-16-7-6-15(21-9-16)8-18(24)17-10-26-11-22-17/h2-7,9-12H,8H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide?
(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide has a molecular weight of 385.88 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 147992779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).