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

C12H11ClN2OS — CID 42732995

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)C1CCC1
InChIInChI=1S/C12H11ClN2OS/c13-8-5-2-6-9-10(8)14-12(17-9)15-11(16)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15,16)
InChIKeyIJOGXWCMKHSBPZ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.69
Rot. Bonds2

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

N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide (PubChem CID 42732995) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
PubChem CID42732995
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)C1CCC1
InChIInChI=1S/C12H11ClN2OS/c13-8-5-2-6-9-10(8)14-12(17-9)15-11(16)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15,16)
InChIKeyIJOGXWCMKHSBPZ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
tert-butyl 3-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 172581333
trans-(1S,2S)-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclopropane-1-carboxylate
CID 7100117
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
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
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
(2S)-N-(4-chloro-1,3-benzothiazol-2-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-2-carboxamide
CID 89044257

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide (CID 42732995) is N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide is O=C(Nc1nc2c(Cl)cccc2s1)C1CCC1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is IJOGXWCMKHSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-8-5-2-6-9-10(8)14-12(17-9)15-11(16)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,14,15,16).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.69, 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)cyclobutanecarboxamide is sourced from PubChem (CID 42732995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).