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

C10H16N2S — CID 104688040

IUPAC2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
SMILESCc1ncc(CC2(C)CCCN2)s1
InChIInChI=1S/C10H16N2S/c1-8-11-7-9(13-8)6-10(2)4-3-5-12-10/h7,12H,3-6H2,1-2H3
InChIKeyFJIJEAMFBCEBJL-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.14
Rot. Bonds2

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

2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole (PubChem CID 104688040) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
PubChem CID104688040
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
SMILESCc1ncc(CC2(C)CCCN2)s1
InChIInChI=1S/C10H16N2S/c1-8-11-7-9(13-8)6-10(2)4-3-5-12-10/h7,12H,3-6H2,1-2H3
InChIKeyFJIJEAMFBCEBJL-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole (CID 104688040) is 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole is Cc1ncc(CC2(C)CCCN2)s1.
What is the InChIKey of 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole?
The InChIKey is FJIJEAMFBCEBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-11-7-9(13-8)6-10(2)4-3-5-12-10/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole?
2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 104688040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).