3-(1,3-benzothiazol-6-yl)propan-1-amine

C10H12N2S — CID 69250616

IUPAC3-(1,3-benzothiazol-6-yl)propan-1-amine
SMILESNCCCc1ccc2ncsc2c1
InChIInChI=1S/C10H12N2S/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5,11H2
InChIKeyVODGZZWQRMPOOH-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.19
Rot. Bonds3

About 3-(1,3-benzothiazol-6-yl)propan-1-amine

3-(1,3-benzothiazol-6-yl)propan-1-amine (PubChem CID 69250616) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-yl)propan-1-amine
PubChem CID69250616
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-(1,3-benzothiazol-6-yl)propan-1-amine
SMILESNCCCc1ccc2ncsc2c1
InChIInChI=1S/C10H12N2S/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5,11H2
InChIKeyVODGZZWQRMPOOH-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
3-pyridin-4-ylpropyl 2-(1,3-benzothiazol-6-yl)acetate
CID 166194625
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
CID 154705131
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
3-(1,2,3-benzothiadiazol-5-yl)propan-1-amine
CID 82605356
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
CID 83903661
(5-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-6-yl)propanoate
CID 166360199
3-[4-(2,1,3-benzothiadiazol-5-ylmethoxy)phenyl]propan-1-amine
CID 170867715
6-[amino(1,3-benzothiazol-6-yloxy)phosphanyl]oxy-1,3-benzothiazole;hydrochloride
CID 175462374

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-6-yl)propan-1-amine?
The IUPAC name of 3-(1,3-benzothiazol-6-yl)propan-1-amine (CID 69250616) is 3-(1,3-benzothiazol-6-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-6-yl)propan-1-amine?
The canonical SMILES for 3-(1,3-benzothiazol-6-yl)propan-1-amine is NCCCc1ccc2ncsc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-6-yl)propan-1-amine?
The InChIKey is VODGZZWQRMPOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5,11H2.
What are the key properties of 3-(1,3-benzothiazol-6-yl)propan-1-amine?
3-(1,3-benzothiazol-6-yl)propan-1-amine has a molecular weight of 192.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-yl)propan-1-amine is sourced from PubChem (CID 69250616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).