2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 84583503

IUPAC2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-14-9)8(13)12(4)5/h6H,1-5H3
InChIKeyLVYHTCLZVYUDMU-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.14
Rot. Bonds1

About 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 84583503) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID84583503
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-14-9)8(13)12(4)5/h6H,1-5H3
InChIKeyLVYHTCLZVYUDMU-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-N,N-dimethyl-1,3-thiazole-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 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 84583503) is 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is LVYHTCLZVYUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)9-11-7(6-14-9)8(13)12(4)5/h6H,1-5H3.
What are the key properties of 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84583503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).