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

C12H11ClN2O2S — CID 5084878

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCCO1
InChIInChI=1S/C12H11ClN2O2S/c13-7-3-4-8-10(6-7)18-12(14-8)15-11(16)9-2-1-5-17-9/h3-4,6,9H,1-2,5H2,(H,14,15,16)
InChIKeyIQKRPCXQIIDAJK-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.07
Rot. Bonds2

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

N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (PubChem CID 5084878) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
PubChem CID5084878
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCCO1
InChIInChI=1S/C12H11ClN2O2S/c13-7-3-4-8-10(6-7)18-12(14-8)15-11(16)9-2-1-5-17-9/h3-4,6,9H,1-2,5H2,(H,14,15,16)
InChIKeyIQKRPCXQIIDAJK-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 734498
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
2-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932211
N-[2-(oxolane-2-carbonylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 175055623
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide (CID 5084878) is N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)C1CCCO1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is IQKRPCXQIIDAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-7-3-4-8-10(6-7)18-12(14-8)15-11(16)9-2-1-5-17-9/h3-4,6,9H,1-2,5H2,(H,14,15,16).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 5084878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).