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

C19H19N3OS — CID 112500664

IUPAC3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H19N3OS/c23-18(7-6-15-4-2-1-3-5-15)21-13-10-17-14-24-19(22-17)16-8-11-20-12-9-16/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,21,23)
InChIKeyHUCXCBVGRSFRHQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.50
Rot. Bonds7

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

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 112500664) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID112500664
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H19N3OS/c23-18(7-6-15-4-2-1-3-5-15)21-13-10-17-14-24-19(22-17)16-8-11-20-12-9-16/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,21,23)
InChIKeyHUCXCBVGRSFRHQ-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
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3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
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3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110305211
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110305224
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 112500664) is 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCc1ccccc1)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is HUCXCBVGRSFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-18(7-6-15-4-2-1-3-5-15)21-13-10-17-14-24-19(22-17)16-8-11-20-12-9-16/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,21,23).
What are the key properties of 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 337.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 112500664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).