4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

C9H14N2OS — CID 62371783

IUPAC4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1CCNC1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-8-2-3-10-4-8/h6,8,10H,2-5H2,1H3
InChIKeyKXHIGCDOQJADEP-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.83
Rot. Bonds2

About 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one

4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (PubChem CID 62371783) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
PubChem CID62371783
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1CCNC1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-8-2-3-10-4-8/h6,8,10H,2-5H2,1H3
InChIKeyKXHIGCDOQJADEP-UHFFFAOYSA-N
XLogP0.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one (CID 62371783) is 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CC1CCNC1.
What is the InChIKey of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is KXHIGCDOQJADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-13-9(12)11(7)5-8-2-3-10-4-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one?
4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 62371783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).