N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide

C12H11ClN2OS — CID 3551308

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H11ClN2OS/c1-6-4-8(6)11(16)15-12-14-9-3-2-7(13)5-10(9)17-12/h2-3,5-6,8H,4H2,1H3,(H,14,15,16)
InChIKeyDTVGDEPUWYDANL-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.54
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 3551308) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID3551308
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C12H11ClN2OS/c1-6-4-8(6)11(16)15-12-14-9-3-2-7(13)5-10(9)17-12/h2-3,5-6,8H,4H2,1H3,(H,14,15,16)
InChIKeyDTVGDEPUWYDANL-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-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-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide (CID 3551308) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is DTVGDEPUWYDANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-6-4-8(6)11(16)15-12-14-9-3-2-7(13)5-10(9)17-12/h2-3,5-6,8H,4H2,1H3,(H,14,15,16).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 3551308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).