(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide

C12H18N2O2S — CID 124527551

IUPAC(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
SMILESCc1csc(CCCNC(=O)[C@H]2CCOC2)n1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-11(14-9)3-2-5-13-12(15)10-4-6-16-7-10/h8,10H,2-7H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyDTABBWBWBFYHRA-JTQLQIEISA-N
MW254.35 g/mol
LogP1.54
Rot. Bonds5

About (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide

(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide (PubChem CID 124527551) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
PubChem CID124527551
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
SMILESCc1csc(CCCNC(=O)[C@H]2CCOC2)n1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-11(14-9)3-2-5-13-12(15)10-4-6-16-7-10/h8,10H,2-7H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyDTABBWBWBFYHRA-JTQLQIEISA-N
XLogP1.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
(3S)-6,6-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxothiomorpholine-3-carboxamide
CID 125178511
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide (CID 124527551) is (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide is Cc1csc(CCCNC(=O)[C@H]2CCOC2)n1.
What is the InChIKey of (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
The InChIKey is DTABBWBWBFYHRA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-17-11(14-9)3-2-5-13-12(15)10-4-6-16-7-10/h8,10H,2-7H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 124527551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).