4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole

C10H16N2S — CID 21365774

IUPAC4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole
SMILESCc1nc(C2CCCN2C)sc1C
InChIInChI=1S/C10H16N2S/c1-7-8(2)13-10(11-7)9-5-4-6-12(9)3/h9H,4-6H2,1-3H3
InChIKeyUPLBZEXMKYMGBH-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.53
Rot. Bonds1

About 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole

4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole (PubChem CID 21365774) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole
PubChem CID21365774
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole
SMILESCc1nc(C2CCCN2C)sc1C
InChIInChI=1S/C10H16N2S/c1-7-8(2)13-10(11-7)9-5-4-6-12(9)3/h9H,4-6H2,1-3H3
InChIKeyUPLBZEXMKYMGBH-UHFFFAOYSA-N
XLogP2.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole (CID 21365774) is 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole is Cc1nc(C2CCCN2C)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
The InChIKey is UPLBZEXMKYMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-8(2)13-10(11-7)9-5-4-6-12(9)3/h9H,4-6H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole?
4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 21365774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).