3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium

C17H29N4O2S+ — CID 7283124

IUPAC3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
SMILESCc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)C2CCCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-12-24-17(18-13)19-15(22)11-21(10-6-9-20(2)3)16(23)14-7-4-5-8-14/h12,14H,4-11H2,1-3H3,(H,18,19,22)/p+1
InChIKeyYRQVHJRXSRHZDW-UHFFFAOYSA-O
MW353.51 g/mol
LogP0.94
Rot. Bonds8

About 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium

3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium (PubChem CID 7283124) has the molecular formula C17H29N4O2S+ and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
PubChem CID7283124
Molecular FormulaC17H29N4O2S+
Molecular Weight353.51 g/mol
Exact Mass353.20
IUPAC Name3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
SMILESCc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)C2CCCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-12-24-17(18-13)19-15(22)11-21(10-6-9-20(2)3)16(23)14-7-4-5-8-14/h12,14H,4-11H2,1-3H3,(H,18,19,22)/p+1
InChIKeyYRQVHJRXSRHZDW-UHFFFAOYSA-O
XLogP0.94
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium 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 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium (CID 7283124) is 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium is Cc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)C2CCCC2)n1.
What is the InChIKey of 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The InChIKey is YRQVHJRXSRHZDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28N4O2S/c1-13-12-24-17(18-13)19-15(22)11-21(10-6-9-20(2)3)16(23)14-7-4-5-8-14/h12,14H,4-11H2,1-3H3,(H,18,19,22)/p+1.
What are the key properties of 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium has a molecular weight of 353.51 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentanecarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7283124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).