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

C9H14N2S — CID 126995565

IUPAC5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1cnc(N2CCC(C)C2)s1
InChIInChI=1S/C9H14N2S/c1-7-3-4-11(6-7)9-10-5-8(2)12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyLIKUNRYJCUSOCC-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.30
Rot. Bonds1

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

5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 126995565) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID126995565
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1cnc(N2CCC(C)C2)s1
InChIInChI=1S/C9H14N2S/c1-7-3-4-11(6-7)9-10-5-8(2)12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyLIKUNRYJCUSOCC-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole (CID 126995565) is 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole is Cc1cnc(N2CCC(C)C2)s1.
What is the InChIKey of 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is LIKUNRYJCUSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-3-4-11(6-7)9-10-5-8(2)12-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole?
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 126995565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).