5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C13H22N2S — CID 64722003

IUPAC5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)C(C)CC(C)C2
InChIInChI=1S/C13H22N2S/c1-8(2)7-14-13-15-11-6-9(3)5-10(4)12(11)16-13/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyNDRULEULDUJYKZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.90
Rot. Bonds3

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

5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 64722003) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID64722003
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)CNc1nc2c(s1)C(C)CC(C)C2
InChIInChI=1S/C13H22N2S/c1-8(2)7-14-13-15-11-6-9(3)5-10(4)12(11)16-13/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyNDRULEULDUJYKZ-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 64722003) is 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC(C)CNc1nc2c(s1)C(C)CC(C)C2.
What is the InChIKey of 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is NDRULEULDUJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8(2)7-14-13-15-11-6-9(3)5-10(4)12(11)16-13/h8-10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 64722003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).