5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole

C9H13ClN2S — CID 126990856

IUPAC5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2ncc(Cl)s2)C1C
InChIInChI=1S/C9H13ClN2S/c1-6-3-4-12(7(6)2)9-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3
InChIKeyLDCAUSYJOYSVOH-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.03
Rot. Bonds1

About 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole

5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 126990856) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID126990856
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2ncc(Cl)s2)C1C
InChIInChI=1S/C9H13ClN2S/c1-6-3-4-12(7(6)2)9-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3
InChIKeyLDCAUSYJOYSVOH-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole (CID 126990856) is 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole is CC1CCN(c2ncc(Cl)s2)C1C.
What is the InChIKey of 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is LDCAUSYJOYSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-6-3-4-12(7(6)2)9-11-5-8(10)13-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole?
5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 216.74 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dimethylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 126990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).