N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine

C14H20N2S — CID 134342554

IUPACN-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCCCC(C)(C)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H20N2S/c1-4-5-8-14(2,3)16-11-6-7-12-13(9-11)17-10-15-12/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyJUJSTZNIKGODIY-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.68
Rot. Bonds5

About N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine

N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 134342554) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine
PubChem CID134342554
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine
SMILESCCCCC(C)(C)Nc1ccc2ncsc2c1
InChIInChI=1S/C14H20N2S/c1-4-5-8-14(2,3)16-11-6-7-12-13(9-11)17-10-15-12/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyJUJSTZNIKGODIY-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine (CID 134342554) is N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine is CCCCC(C)(C)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is JUJSTZNIKGODIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-5-8-14(2,3)16-11-6-7-12-13(9-11)17-10-15-12/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine?
N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 248.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexan-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 134342554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).