4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C11H18N2S — CID 118961407

IUPAC4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCCC1CCCc2sc(N)nc21
InChIInChI=1S/C11H18N2S/c1-2-3-5-8-6-4-7-9-10(8)13-11(12)14-9/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyYVDOXUPYSGJGDW-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.34
Rot. Bonds3

About 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 118961407) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID118961407
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCCC1CCCc2sc(N)nc21
InChIInChI=1S/C11H18N2S/c1-2-3-5-8-6-4-7-9-10(8)13-11(12)14-9/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyYVDOXUPYSGJGDW-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 118961407) is 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCCCC1CCCc2sc(N)nc21.
What is the InChIKey of 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is YVDOXUPYSGJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-3-5-8-6-4-7-9-10(8)13-11(12)14-9/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 118961407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).