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

C10H12N2S — CID 47002323

IUPAC2-(1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2ccccc2s1
InChIInChI=1S/C10H12N2S/c1-7(6-11)10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3
InChIKeyWIIVAHYWRITMRE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.36
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 47002323) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID47002323
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(1,3-benzothiazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2ccccc2s1
InChIInChI=1S/C10H12N2S/c1-7(6-11)10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3
InChIKeyWIIVAHYWRITMRE-UHFFFAOYSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)propan-1-amine (CID 47002323) is 2-(1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)propan-1-amine is CC(CN)c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is WIIVAHYWRITMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(6-11)10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)propan-1-amine?
2-(1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 192.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 47002323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).