N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine

C16H22N2S — CID 79146937

IUPACN-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCC3CCCCC3)nc12
InChIInChI=1S/C16H22N2S/c1-12-6-5-9-14-15(12)18-16(19-14)17-11-10-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyYWUHNTHWIHPBPG-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.99
Rot. Bonds4

About N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine

N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79146937) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79146937
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCC3CCCCC3)nc12
InChIInChI=1S/C16H22N2S/c1-12-6-5-9-14-15(12)18-16(19-14)17-11-10-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyYWUHNTHWIHPBPG-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79146165
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17400491

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79146937) is N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCCC3CCCCC3)nc12.
What is the InChIKey of N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is YWUHNTHWIHPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-6-5-9-14-15(12)18-16(19-14)17-11-10-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).