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

C12H11ClN2OS — CID 836745

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCC1
InChIInChI=1S/C12H11ClN2OS/c13-8-4-5-9-10(6-8)17-12(14-9)15-11(16)7-2-1-3-7/h4-7H,1-3H2,(H,14,15,16)
InChIKeyRFMGONYQEMYSFU-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.69
Rot. Bonds2

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

N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide (PubChem CID 836745) 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)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
PubChem CID836745
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCC1
InChIInChI=1S/C12H11ClN2OS/c13-8-4-5-9-10(6-8)17-12(14-9)15-11(16)7-2-1-3-7/h4-7H,1-3H2,(H,14,15,16)
InChIKeyRFMGONYQEMYSFU-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

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
(3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 40952904
2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932211
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
(1S,6S)-6-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 840087
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
2-(cyclohexanecarbonylamino)-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 4609257

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide (CID 836745) is N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)C1CCC1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is RFMGONYQEMYSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-8-4-5-9-10(6-8)17-12(14-9)15-11(16)7-2-1-3-7/h4-7H,1-3H2,(H,14,15,16).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide?
N-(6-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-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 836745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).