2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide

C15H19N3OS — CID 127267996

IUPAC2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide
SMILESO=C(CNc1ccc2scnc2c1)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c19-15(18-11-4-2-1-3-5-11)9-16-12-6-7-14-13(8-12)17-10-20-14/h6-8,10-11,16H,1-5,9H2,(H,18,19)
InChIKeyIUEIKOYWCOJBCN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.16
Rot. Bonds4

About 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide

2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide (PubChem CID 127267996) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide
PubChem CID127267996
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide
SMILESO=C(CNc1ccc2scnc2c1)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c19-15(18-11-4-2-1-3-5-11)9-16-12-6-7-14-13(8-12)17-10-20-14/h6-8,10-11,16H,1-5,9H2,(H,18,19)
InChIKeyIUEIKOYWCOJBCN-UHFFFAOYSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810286
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide (CID 127267996) is 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide is O=C(CNc1ccc2scnc2c1)NC1CCCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide?
The InChIKey is IUEIKOYWCOJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(18-11-4-2-1-3-5-11)9-16-12-6-7-14-13(8-12)17-10-20-14/h6-8,10-11,16H,1-5,9H2,(H,18,19).
What are the key properties of 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide?
2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-5-ylamino)-N-cyclohexylacetamide is sourced from PubChem (CID 127267996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).