N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C12H11ClN2OS — CID 7192953

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1c(Cl)ccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C12H11ClN2OS/c1-6-8(13)4-5-9-10(6)14-12(17-9)15-11(16)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXBPUGUCXGCEAGH-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.61
Rot. Bonds2

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 7192953) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID7192953
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1c(Cl)ccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C12H11ClN2OS/c1-6-8(13)4-5-9-10(6)14-12(17-9)15-11(16)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXBPUGUCXGCEAGH-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 7192953) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is Cc1c(Cl)ccc2sc(NC(=O)C3CC3)nc12.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is XBPUGUCXGCEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-6-8(13)4-5-9-10(6)14-12(17-9)15-11(16)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7192953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).