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

C13H22N2S — CID 62704098

IUPAC2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C13H22N2S/c1-8(2)10-4-5-11-12(6-10)16-13(15-11)9(3)7-14/h8-10H,4-7,14H2,1-3H3
InChIKeyGASQUFILUOFRHC-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.97
Rot. Bonds3

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

2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 62704098) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID62704098
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C13H22N2S/c1-8(2)10-4-5-11-12(6-10)16-13(15-11)9(3)7-14/h8-10H,4-7,14H2,1-3H3
InChIKeyGASQUFILUOFRHC-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (CID 62704098) is 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine is CC(CN)c1nc2c(s1)CC(C(C)C)CC2.
What is the InChIKey of 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is GASQUFILUOFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8(2)10-4-5-11-12(6-10)16-13(15-11)9(3)7-14/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62704098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).