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

C16H21N3OS — CID 65349702

IUPAC2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccc3nc(N)sc3c2)C1
InChIInChI=1S/C16H21N3OS/c1-2-10-4-3-5-12(8-10)18-15(20)11-6-7-13-14(9-11)21-16(17)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyTUCWIPVKKICDPS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.58
Rot. Bonds3

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

2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349702) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349702
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccc3nc(N)sc3c2)C1
InChIInChI=1S/C16H21N3OS/c1-2-10-4-3-5-12(8-10)18-15(20)11-6-7-13-14(9-11)21-16(17)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyTUCWIPVKKICDPS-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

cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030
3-(aminomethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748016
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349652
2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65349750
2-amino-N-(2-hydroxycyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349358
3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
CID 64747811
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (CID 65349702) is 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is CCC1CCCC(NC(=O)c2ccc3nc(N)sc3c2)C1.
What is the InChIKey of 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is TUCWIPVKKICDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-10-4-3-5-12(8-10)18-15(20)11-6-7-13-14(9-11)21-16(17)19-13/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-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-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).