N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide

C13H15N3OS — CID 778333

IUPACN-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2snnc2c1
InChIInChI=1S/C13H15N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-12-11(8-9)15-16-18-12/h6-8,10H,1-5H2,(H,14,17)
InChIKeyCBGWYIJMLGPKSK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.75
Rot. Bonds2

About N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide

N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 778333) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID778333
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2snnc2c1
InChIInChI=1S/C13H15N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-12-11(8-9)15-16-18-12/h6-8,10H,1-5H2,(H,14,17)
InChIKeyCBGWYIJMLGPKSK-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 6623595
N-(4-acetylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 707560
N-(4-methylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 1072933
N-benzyl-1,2,3-benzothiadiazole-6-carboxamide
CID 2726714
N-(3-bromophenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 4356406
N-(3,4-dimethylphenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 16012676
1,2,3-Benzothiadiazol-5-yl(1,4-thiazinan-4-yl)methanone
CID 707551
Benzo[1,2,3]thiadiazol-5-yl-(4-phenyl-piperazin-1-yl)-methanone
CID 707587
N-(4-chlorophenyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 2823335
Cambridge id 7087992
CID 2925640
N-(2-methoxyethyl)-1,2,3-benzothiadiazole-5-carboxamide
CID 3149529
Benzo[1,2,3]thiadiazole-5-carboxylic acid propylamide
CID 3149533

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide (CID 778333) is N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide is O=C(NC1CCCCC1)c1ccc2snnc2c1.
What is the InChIKey of N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is CBGWYIJMLGPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(14-10-4-2-1-3-5-10)9-6-7-12-11(8-9)15-16-18-12/h6-8,10H,1-5H2,(H,14,17).
What are the key properties of N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide?
N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 778333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).