6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine

C15H21N3S — CID 65348853

IUPAC6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCC1(NCc2ccc3nc(N)sc3c2)CCCCC1
InChIInChI=1S/C15H21N3S/c1-15(7-3-2-4-8-15)17-10-11-5-6-12-13(9-11)19-14(16)18-12/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,16,18)
InChIKeyCPCFVRYVFWOHJP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.69
Rot. Bonds3

About 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine

6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348853) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348853
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCC1(NCc2ccc3nc(N)sc3c2)CCCCC1
InChIInChI=1S/C15H21N3S/c1-15(7-3-2-4-8-15)17-10-11-5-6-12-13(9-11)19-14(16)18-12/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,16,18)
InChIKeyCPCFVRYVFWOHJP-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine (CID 65348853) is 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine is CC1(NCc2ccc3nc(N)sc3c2)CCCCC1.
What is the InChIKey of 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is CPCFVRYVFWOHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(7-3-2-4-8-15)17-10-11-5-6-12-13(9-11)19-14(16)18-12/h5-6,9,17H,2-4,7-8,10H2,1H3,(H2,16,18).
What are the key properties of 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine?
6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-methylcyclohexyl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).