2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide

C16H21N3OS — CID 65349674

IUPAC2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C16H21N3OS/c1-2-10-5-3-4-6-12(10)18-15(20)11-7-8-13-14(9-11)21-16(17)19-13/h7-10,12H,2-6H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXNALLPINQSTVOW-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.58
Rot. Bonds3

About 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349674) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349674
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C16H21N3OS/c1-2-10-5-3-4-6-12(10)18-15(20)11-7-8-13-14(9-11)21-16(17)19-13/h7-10,12H,2-6H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXNALLPINQSTVOW-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349358
2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65349750
2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349702
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
CID 63213551
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (CID 65349674) is 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is CCC1CCCCC1NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XNALLPINQSTVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-10-5-3-4-6-12(10)18-15(20)11-7-8-13-14(9-11)21-16(17)19-13/h7-10,12H,2-6H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).