4-ethyl-1,2-benzothiazole-3-carboxamide

C10H10N2OS — CID 142635019

IUPAC4-ethyl-1,2-benzothiazole-3-carboxamide
SMILESCCc1cccc2snc(C(N)=O)c12
InChIInChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)9(10(11)13)12-14-7/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyMTWQLYUQOBWIAW-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.96
Rot. Bonds2

About 4-ethyl-1,2-benzothiazole-3-carboxamide

4-ethyl-1,2-benzothiazole-3-carboxamide (PubChem CID 142635019) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-ethyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-1,2-benzothiazole-3-carboxamide
PubChem CID142635019
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-ethyl-1,2-benzothiazole-3-carboxamide
SMILESCCc1cccc2snc(C(N)=O)c12
InChIInChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)9(10(11)13)12-14-7/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyMTWQLYUQOBWIAW-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1,2-benzothiazole-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 4-ethyl-1,2-benzothiazole-3-carboxamide (CID 142635019) is 4-ethyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 4-ethyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 4-ethyl-1,2-benzothiazole-3-carboxamide is CCc1cccc2snc(C(N)=O)c12.
What is the InChIKey of 4-ethyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is MTWQLYUQOBWIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-6-4-3-5-7-8(6)9(10(11)13)12-14-7/h3-5H,2H2,1H3,(H2,11,13).
What are the key properties of 4-ethyl-1,2-benzothiazole-3-carboxamide?
4-ethyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 142635019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).