2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole

C10H12N2S — CID 10313490

IUPAC2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
SMILESC(#Cc1nccs1)CN1CCCC1
InChIInChI=1S/C10H12N2S/c1-2-7-12(6-1)8-3-4-10-11-5-9-13-10/h5,9H,1-2,6-8H2
InChIKeyLYGHISJTUGEHPW-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.59
Rot. Bonds1

About 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole

2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole (PubChem CID 10313490) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
PubChem CID10313490
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
SMILESC(#Cc1nccs1)CN1CCCC1
InChIInChI=1S/C10H12N2S/c1-2-7-12(6-1)8-3-4-10-11-5-9-13-10/h5,9H,1-2,6-8H2
InChIKeyLYGHISJTUGEHPW-UHFFFAOYSA-N
XLogP1.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole?
The IUPAC name of 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole (CID 10313490) is 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole?
The canonical SMILES for 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole is C(#Cc1nccs1)CN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole?
The InChIKey is LYGHISJTUGEHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-7-12(6-1)8-3-4-10-11-5-9-13-10/h5,9H,1-2,6-8H2.
What are the key properties of 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole?
2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole has a molecular weight of 192.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole is sourced from PubChem (CID 10313490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).