2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide

C21H21N3O2S — CID 4159999

IUPAC2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-19(14-7-3-1-4-8-14)24-21-23-17-12-11-15(13-18(17)27-21)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyDNSXKLWIAPPUDZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.61
Rot. Bonds4

About 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide

2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide (PubChem CID 4159999) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
PubChem CID4159999
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-19(14-7-3-1-4-8-14)24-21-23-17-12-11-15(13-18(17)27-21)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyDNSXKLWIAPPUDZ-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-(cyclohexanecarbonylamino)-N-(2,6-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 4609257
methyl 2-(cyclohexylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate
CID 126194394
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
4-benzamido-N-cyclopentylbenzamide
CID 1262350
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203913
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
2-[[(2S)-oxolane-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 104855773
2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515901

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide (CID 4159999) is 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide is O=C(Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is DNSXKLWIAPPUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-19(14-7-3-1-4-8-14)24-21-23-17-12-11-15(13-18(17)27-21)20(26)22-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide?
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4159999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).