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

C16H27N3OS — CID 50956481

IUPACN-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
SMILESCc1nc(C(C)C)sc1CNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H27N3OS/c1-10(2)16-18-11(3)14(21-16)9-17-12(4)15(20)19-13-7-5-6-8-13/h10,12-13,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyMYCFSTGALSJCSA-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.11
Rot. Bonds6

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

N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide (PubChem CID 50956481) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
PubChem CID50956481
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide
SMILESCc1nc(C(C)C)sc1CNC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H27N3OS/c1-10(2)16-18-11(3)14(21-16)9-17-12(4)15(20)19-13-7-5-6-8-13/h10,12-13,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyMYCFSTGALSJCSA-UHFFFAOYSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-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-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide (CID 50956481) is N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide is Cc1nc(C(C)C)sc1CNC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide?
The InChIKey is MYCFSTGALSJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-10(2)16-18-11(3)14(21-16)9-17-12(4)15(20)19-13-7-5-6-8-13/h10,12-13,17H,5-9H2,1-4H3,(H,19,20).
What are the key properties of N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide?
N-cyclopentyl-2-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide has a molecular weight of 309.48 g/mol, XLogP of 3.11, 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-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 50956481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).