N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide

C19H25N3OS — CID 50948384

IUPACN-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide
SMILESCc1nc(-c2ccccc2)sc1CNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H25N3OS/c1-13-17(24-19(21-13)15-8-4-3-5-9-15)12-20-14(2)18(23)22-16-10-6-7-11-16/h3-5,8-9,14,16,20H,6-7,10-12H2,1-2H3,(H,22,23)
InChIKeyOKLBNRYRLDEPOC-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide

N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide (PubChem CID 50948384) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide
PubChem CID50948384
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide
SMILESCc1nc(-c2ccccc2)sc1CNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H25N3OS/c1-13-17(24-19(21-13)15-8-4-3-5-9-15)12-20-14(2)18(23)22-16-10-6-7-11-16/h3-5,8-9,14,16,20H,6-7,10-12H2,1-2H3,(H,22,23)
InChIKeyOKLBNRYRLDEPOC-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide (CID 50948384) is N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide is Cc1nc(-c2ccccc2)sc1CNC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide?
The InChIKey is OKLBNRYRLDEPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-17(24-19(21-13)15-8-4-3-5-9-15)12-20-14(2)18(23)22-16-10-6-7-11-16/h3-5,8-9,14,16,20H,6-7,10-12H2,1-2H3,(H,22,23).
What are the key properties of N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide?
N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide has a molecular weight of 343.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 50948384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).