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

C11H9ClN2OS — CID 4563812

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)C1CC1
InChIInChI=1S/C11H9ClN2OS/c12-7-2-1-3-8-9(7)13-11(16-8)14-10(15)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,15)
InChIKeyAEHCJVYHSFLCHM-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.30
Rot. Bonds2

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

N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 4563812) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID4563812
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)C1CC1
InChIInChI=1S/C11H9ClN2OS/c12-7-2-1-3-8-9(7)13-11(16-8)14-10(15)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,15)
InChIKeyAEHCJVYHSFLCHM-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
trans-(1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate
CID 7100117
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828311
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
tert-butyl 3-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 172581333
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-chloro-1,3-benzothiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43952327
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 4563812) is N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2c(Cl)cccc2s1)C1CC1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is AEHCJVYHSFLCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8-9(7)13-11(16-8)14-10(15)6-4-5-6/h1-3,6H,4-5H2,(H,13,14,15).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 4563812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).