5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide

C20H19N3O2S — CID 108749242

IUPAC5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C20H19N3O2S/c24-18(15-5-2-1-3-6-15)7-4-8-19(25)22-13-17-14-26-20(23-17)16-9-11-21-12-10-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,22,25)
InChIKeyCCBINMITKFNGCY-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.87
Rot. Bonds8

About 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide

5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 108749242) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID108749242
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C20H19N3O2S/c24-18(15-5-2-1-3-6-15)7-4-8-19(25)22-13-17-14-26-20(23-17)16-9-11-21-12-10-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,22,25)
InChIKeyCCBINMITKFNGCY-UHFFFAOYSA-N
XLogP3.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5-phenyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749073
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide (CID 108749242) is 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide is O=C(CCCC(=O)c1ccccc1)NCc1csc(-c2ccncc2)n1.
What is the InChIKey of 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is CCBINMITKFNGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18(15-5-2-1-3-6-15)7-4-8-19(25)22-13-17-14-26-20(23-17)16-9-11-21-12-10-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,22,25).
What are the key properties of 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide?
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 365.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 108749242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).