N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine

C16H22N2S — CID 64751144

IUPACN-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CC(C)CC(C)C3)cc2s1
InChIInChI=1S/C16H22N2S/c1-10-6-11(2)8-14(7-10)18-13-4-5-15-16(9-13)19-12(3)17-15/h4-5,9-11,14,18H,6-8H2,1-3H3
InChIKeyKXWOKXLHIWHKRQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.84
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine

N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 64751144) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID64751144
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CC(C)CC(C)C3)cc2s1
InChIInChI=1S/C16H22N2S/c1-10-6-11(2)8-14(7-10)18-13-4-5-15-16(9-13)19-12(3)17-15/h4-5,9-11,14,18H,6-8H2,1-3H3
InChIKeyKXWOKXLHIWHKRQ-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
CID 65084135
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 79948338
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840343

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine (CID 64751144) is N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC3CC(C)CC(C)C3)cc2s1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is KXWOKXLHIWHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-6-11(2)8-14(7-10)18-13-4-5-15-16(9-13)19-12(3)17-15/h4-5,9-11,14,18H,6-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 274.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 64751144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).