3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole

C9H14N2S — CID 15186119

IUPAC3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole
SMILESCc1cc(C2CCCN2C)sn1
InChIInChI=1S/C9H14N2S/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3
InChIKeyVDBARBSIVWSJSV-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.22
Rot. Bonds1

About 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole

3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole (PubChem CID 15186119) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole
PubChem CID15186119
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole
SMILESCc1cc(C2CCCN2C)sn1
InChIInChI=1S/C9H14N2S/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3
InChIKeyVDBARBSIVWSJSV-UHFFFAOYSA-N
XLogP2.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole (CID 15186119) is 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole is Cc1cc(C2CCCN2C)sn1.
What is the InChIKey of 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole?
The InChIKey is VDBARBSIVWSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole?
3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole is sourced from PubChem (CID 15186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).