N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine

C14H19N3S — CID 59230547

IUPACN-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine
SMILESNC1CCC(CNc2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H19N3S/c15-11-3-1-10(2-4-11)8-16-12-5-6-13-14(7-12)18-9-17-13/h5-7,9-11,16H,1-4,8,15H2
InChIKeyWZDVWKPUJDECEK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.23
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine

N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 59230547) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine
PubChem CID59230547
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine
SMILESNC1CCC(CNc2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H19N3S/c15-11-3-1-10(2-4-11)8-16-12-5-6-13-14(7-12)18-9-17-13/h5-7,9-11,16H,1-4,8,15H2
InChIKeyWZDVWKPUJDECEK-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
CID 114003116
N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine
CID 66636896
N-(4-ethylcycloheptyl)-1,3-benzothiazol-6-amine
CID 107803878
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
5-[(1,3-benzothiazol-6-ylamino)methyl]furan-2-carbonitrile
CID 103818814
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine (CID 59230547) is N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine is NC1CCC(CNc2ccc3ncsc3c2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is WZDVWKPUJDECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-11-3-1-10(2-4-11)8-16-12-5-6-13-14(7-12)18-9-17-13/h5-7,9-11,16H,1-4,8,15H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine?
N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 261.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 59230547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).