2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide

C16H18N2O2S — CID 99835388

IUPAC2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2ccccc2)[C@H]2CCOC2)s1
InChIInChI=1S/C16H18N2O2S/c1-11-15(21-12(2)17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3/t14-/m0/s1
InChIKeySPFLRKQXIKBVEF-AWEZNQCLSA-N
MW302.40 g/mol
LogP3.20
Rot. Bonds3

About 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 99835388) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID99835388
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(c2ccccc2)[C@H]2CCOC2)s1
InChIInChI=1S/C16H18N2O2S/c1-11-15(21-12(2)17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3/t14-/m0/s1
InChIKeySPFLRKQXIKBVEF-AWEZNQCLSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-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 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide (CID 99835388) is 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(c2ccccc2)[C@H]2CCOC2)s1.
What is the InChIKey of 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SPFLRKQXIKBVEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-15(21-12(2)17-11)16(19)18(14-8-9-20-10-14)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3S)-oxolan-3-yl]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99835388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).