3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole

C11H18N2S — CID 130723518

IUPAC3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole
SMILESCc1cc(C2(C(C)C)CCCN2)sn1
InChIInChI=1S/C11H18N2S/c1-8(2)11(5-4-6-12-11)10-7-9(3)13-14-10/h7-8,12H,4-6H2,1-3H3
InChIKeyKTDHQTBYJVNLBE-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.69
Rot. Bonds2

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

3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole (PubChem CID 130723518) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole
PubChem CID130723518
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole
SMILESCc1cc(C2(C(C)C)CCCN2)sn1
InChIInChI=1S/C11H18N2S/c1-8(2)11(5-4-6-12-11)10-7-9(3)13-14-10/h7-8,12H,4-6H2,1-3H3
InChIKeyKTDHQTBYJVNLBE-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole
CID 10103553
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2-thiazole
CID 10329716
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-thiazole
CID 10329995
3-methyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-thiazole
CID 10442349
3-Methyl-5-(1-methylpyrrolidin-2-yl)-1,2-thiazole
CID 15186119
5-[Fluoro(pyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole
CID 126992763
5-(4-Fluoropiperidin-4-yl)-3-methyl-1,2-thiazole
CID 130699837
5-(3-Fluoro-6-methylpiperidin-3-yl)-3-methyl-1,2-thiazole
CID 133671621
3-Methyl-5-pyrrolidin-2-yl-1,2-thiazole
CID 15186118
3-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride
CID 22853249
5-Tert-butyl-3-(2-pyrrolidin-3-ylethyl)-1,2-thiazole
CID 58523473
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2-thiazole;hydrochloride
CID 67807409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole (CID 130723518) is 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole is Cc1cc(C2(C(C)C)CCCN2)sn1.
What is the InChIKey of 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole?
The InChIKey is KTDHQTBYJVNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)11(5-4-6-12-11)10-7-9(3)13-14-10/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole?
3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-propan-2-ylpyrrolidin-2-yl)-1,2-thiazole is sourced from PubChem (CID 130723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).