N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C12H14N2OS2 — CID 47115372

IUPACN-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)14-10(15)8-7-17-11(13-8)9-5-4-6-16-9/h4-7H,1-3H3,(H,14,15)
InChIKeyZDANBUGQHXKXSQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.40
Rot. Bonds2

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

N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 47115372) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID47115372
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC NameN-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)14-10(15)8-7-17-11(13-8)9-5-4-6-16-9/h4-7H,1-3H3,(H,14,15)
InChIKeyZDANBUGQHXKXSQ-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-thiophen-2-yl-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 N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 47115372) is N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(C)(C)NC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZDANBUGQHXKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-12(2,3)14-10(15)8-7-17-11(13-8)9-5-4-6-16-9/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47115372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).