N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine

C14H18N2S — CID 43317154

IUPACN-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CCCC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-11(9-10)15-14-16-12-7-2-3-8-13(12)17-14/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,15,16)
InChIKeyMZABIQRZCRIMOA-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.29
Rot. Bonds2

About N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine

N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine (PubChem CID 43317154) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
PubChem CID43317154
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CCCC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2S/c1-10-5-4-6-11(9-10)15-14-16-12-7-2-3-8-13(12)17-14/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,15,16)
InChIKeyMZABIQRZCRIMOA-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 130804866
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
3-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 63535243
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine (CID 43317154) is N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine is CC1CCCC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The InChIKey is MZABIQRZCRIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-4-6-11(9-10)15-14-16-12-7-2-3-8-13(12)17-14/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,15,16).
What are the key properties of N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43317154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).