[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C10H15N3OS — CID 34745672

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS/c1-7-8(9(11-2)15-12-7)10(14)13-5-3-4-6-13/h11H,3-6H2,1-2H3
InChIKeyWVGIKBPIJWQUMJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.73
Rot. Bonds2

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 34745672) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID34745672
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1snc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C10H15N3OS/c1-7-8(9(11-2)15-12-7)10(14)13-5-3-4-6-13/h11H,3-6H2,1-2H3
InChIKeyWVGIKBPIJWQUMJ-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 34745672) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone is CNc1snc(C)c1C(=O)N1CCCC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WVGIKBPIJWQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-8(9(11-2)15-12-7)10(14)13-5-3-4-6-13/h11H,3-6H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 225.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 34745672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).