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

C6H10N2S — CID 11686921

IUPAC3-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCCCc1nccs1
InChIInChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2
InChIKeyFPKQNDZQVDBFLK-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.03
Rot. Bonds3

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

3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 11686921) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID11686921
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCCCc1nccs1
InChIInChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2
InChIKeyFPKQNDZQVDBFLK-UHFFFAOYSA-N
XLogP1.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(1,3-thiazol-2-yl)propan-1-amine (CID 11686921) is 3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)propan-1-amine is NCCCc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is FPKQNDZQVDBFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2.
What are the key properties of 3-(1,3-thiazol-2-yl)propan-1-amine?
3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 142.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 11686921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).