1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine

C11H18N2S — CID 62646241

IUPAC1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
SMILESCCC(N)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2S/c1-2-8(12)7-11-13-9-5-3-4-6-10(9)14-11/h8H,2-7,12H2,1H3
InChIKeyFDNREHIJMYPJFQ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.30
Rot. Bonds3

About 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine (PubChem CID 62646241) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
PubChem CID62646241
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
SMILESCCC(N)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2S/c1-2-8(12)7-11-13-9-5-3-4-6-10(9)14-11/h8H,2-7,12H2,1H3
InChIKeyFDNREHIJMYPJFQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine (CID 62646241) is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine is CCC(N)Cc1nc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The InChIKey is FDNREHIJMYPJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-8(12)7-11-13-9-5-3-4-6-10(9)14-11/h8H,2-7,12H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine is sourced from PubChem (CID 62646241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).