2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H24N2S — CID 114211917

IUPAC2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(CCC(C)(C)C)sc21
InChIInChI=1S/C14H24N2S/c1-14(2,3)9-8-12-16-11-7-5-6-10(15-4)13(11)17-12/h10,15H,5-9H2,1-4H3
InChIKeyGVXVVPLHSOLTQM-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 114211917) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID114211917
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(CCC(C)(C)C)sc21
InChIInChI=1S/C14H24N2S/c1-14(2,3)9-8-12-16-11-7-5-6-10(15-4)13(11)17-12/h10,15H,5-9H2,1-4H3
InChIKeyGVXVVPLHSOLTQM-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65128529
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62717405
N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65422382
N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62386843
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66096142
2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403634
2-(4-tert-butylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078597
2-[(3-methoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079690
2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754583
N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 114211917) is 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(CCC(C)(C)C)sc21.
What is the InChIKey of 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is GVXVVPLHSOLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)9-8-12-16-11-7-5-6-10(15-4)13(11)17-12/h10,15H,5-9H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 114211917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).