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

C11H18N2S — CID 79413175

IUPAC2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(N)CCC2
InChIInChI=1S/C11H18N2S/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h8H,2-7,12H2,1H3
InChIKeyVCQIWFVVNPYXCL-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.82
Rot. Bonds3

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

2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 79413175) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID79413175
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCCc1nc2c(s1)C(N)CCC2
InChIInChI=1S/C11H18N2S/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h8H,2-7,12H2,1H3
InChIKeyVCQIWFVVNPYXCL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
2-[2-(2-methoxyethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 102928748
2-[(1,4-dimethylpiperazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115415677
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84661798
2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982864
2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774406
2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080443
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83062024
(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
CID 121002752
2-[(2-chlorophenoxy)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982853
2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345083
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774417

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 79413175) is 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCCc1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is VCQIWFVVNPYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h8H,2-7,12H2,1H3.
What are the key properties of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 210.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79413175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).