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

C18H17N3OS — CID 110318189

IUPAC3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H17N3OS/c22-17(7-6-14-4-2-1-3-5-14)20-12-18-21-16(13-23-18)15-8-10-19-11-9-15/h1-5,8-11,13H,6-7,12H2,(H,20,22)
InChIKeyCEFJGTIDIYSVNI-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.45
Rot. Bonds6

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

3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 110318189) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID110318189
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H17N3OS/c22-17(7-6-14-4-2-1-3-5-14)20-12-18-21-16(13-23-18)15-8-10-19-11-9-15/h1-5,8-11,13H,6-7,12H2,(H,20,22)
InChIKeyCEFJGTIDIYSVNI-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 60510774
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide (CID 110318189) is 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide is O=C(CCc1ccccc1)NCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is CEFJGTIDIYSVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(7-6-14-4-2-1-3-5-14)20-12-18-21-16(13-23-18)15-8-10-19-11-9-15/h1-5,8-11,13H,6-7,12H2,(H,20,22).
What are the key properties of 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide?
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 323.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110318189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).