N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

C9H18N2OS — CID 43131419

IUPACN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSCN1
InChIInChI=1S/C9H18N2OS/c1-6(2)7(3)11-9(12)8-4-13-5-10-8/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyHHJNHEOVFJJSMH-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.81
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43131419) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID43131419
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSCN1
InChIInChI=1S/C9H18N2OS/c1-6(2)7(3)11-9(12)8-4-13-5-10-8/h6-8,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyHHJNHEOVFJJSMH-UHFFFAOYSA-N
XLogP0.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide 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-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 43131419) is N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CC(C)C(C)NC(=O)C1CSCN1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HHJNHEOVFJJSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(2)7(3)11-9(12)8-4-13-5-10-8/h6-8,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43131419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).