N-propyl-2,1-benzothiazol-3-amine

C10H12N2S — CID 533425

IUPACN-propyl-2,1-benzothiazol-3-amine
SMILESCCCNc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-2-7-11-10-8-5-3-4-6-9(8)12-13-10/h3-6,11H,2,7H2,1H3
InChIKeyJMSNWWKHZFQDKG-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.12
Rot. Bonds3

About N-propyl-2,1-benzothiazol-3-amine

N-propyl-2,1-benzothiazol-3-amine (PubChem CID 533425) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-propyl-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-propyl-2,1-benzothiazol-3-amine
PubChem CID533425
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-propyl-2,1-benzothiazol-3-amine
SMILESCCCNc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-2-7-11-10-8-5-3-4-6-9(8)12-13-10/h3-6,11H,2,7H2,1H3
InChIKeyJMSNWWKHZFQDKG-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2,1-benzothiazol-3-amine?
The IUPAC name of N-propyl-2,1-benzothiazol-3-amine (CID 533425) is N-propyl-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-propyl-2,1-benzothiazol-3-amine?
The canonical SMILES for N-propyl-2,1-benzothiazol-3-amine is CCCNc1snc2ccccc12.
What is the InChIKey of N-propyl-2,1-benzothiazol-3-amine?
The InChIKey is JMSNWWKHZFQDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-7-11-10-8-5-3-4-6-9(8)12-13-10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-propyl-2,1-benzothiazol-3-amine?
N-propyl-2,1-benzothiazol-3-amine has a molecular weight of 192.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,1-benzothiazol-3-amine is sourced from PubChem (CID 533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).