3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine

C11H14N2S — CID 39106914

IUPAC3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCc1cccc2sc(CCCN)nc12
InChIInChI=1S/C11H14N2S/c1-8-4-2-5-9-11(8)13-10(14-9)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3
InChIKeyGOUVAMKMDZVIAZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.50
Rot. Bonds3

About 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine

3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 39106914) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID39106914
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCc1cccc2sc(CCCN)nc12
InChIInChI=1S/C11H14N2S/c1-8-4-2-5-9-11(8)13-10(14-9)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3
InChIKeyGOUVAMKMDZVIAZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine (CID 39106914) is 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine is Cc1cccc2sc(CCCN)nc12.
What is the InChIKey of 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is GOUVAMKMDZVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-4-2-5-9-11(8)13-10(14-9)6-3-7-12/h2,4-5H,3,6-7,12H2,1H3.
What are the key properties of 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 39106914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).