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

C16H18N2O2S — CID 6465057

IUPACN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)C3CCCO3)cs2)c1
InChIInChI=1S/C16H18N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,17,19)
InChIKeyZNHYDWWFCJRVCQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.91
Rot. Bonds4

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

N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 6465057) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
PubChem CID6465057
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1cccc(-c2nc(CNC(=O)C3CCCO3)cs2)c1
InChIInChI=1S/C16H18N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,17,19)
InChIKeyZNHYDWWFCJRVCQ-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-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-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide (CID 6465057) is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide is Cc1cccc(-c2nc(CNC(=O)C3CCCO3)cs2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ZNHYDWWFCJRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-4-2-5-12(8-11)16-18-13(10-21-16)9-17-15(19)14-6-3-7-20-14/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 6465057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).