2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide

C16H21N3OS — CID 65349652

IUPAC2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3nc(N)sc3c2)C(C)C1
InChIInChI=1S/C16H21N3OS/c1-9-3-5-12(10(2)7-9)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyKWRIZCWECOBPAE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349652) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349652
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3nc(N)sc3c2)C(C)C1
InChIInChI=1S/C16H21N3OS/c1-9-3-5-12(10(2)7-9)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyKWRIZCWECOBPAE-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide (CID 65349652) is 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is CC1CCC(NC(=O)c2ccc3nc(N)sc3c2)C(C)C1.
What is the InChIKey of 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KWRIZCWECOBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-9-3-5-12(10(2)7-9)18-15(20)11-4-6-13-14(8-11)21-16(17)19-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylcyclohexyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).