N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide

C18H17N3OS — CID 28865127

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
SMILESNc1nc(-c2ccc(NC(=O)CCc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N3OS/c19-18-21-16(12-23-18)14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,19,21)(H,20,22)
InChIKeyDJZZEWLAHCMXOC-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.96
Rot. Bonds5

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide (PubChem CID 28865127) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
PubChem CID28865127
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
SMILESNc1nc(-c2ccc(NC(=O)CCc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N3OS/c19-18-21-16(12-23-18)14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,19,21)(H,20,22)
InChIKeyDJZZEWLAHCMXOC-UHFFFAOYSA-N
XLogP3.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
CID 5272483
tert-butyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-benzylcarbamate
CID 5272472
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide (CID 28865127) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide is Nc1nc(-c2ccc(NC(=O)CCc3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide?
The InChIKey is DJZZEWLAHCMXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-18-21-16(12-23-18)14-7-9-15(10-8-14)20-17(22)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H2,19,21)(H,20,22).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide has a molecular weight of 323.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 28865127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).