4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

C10H15N3O2S — CID 63823916

IUPAC4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2cscn2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-8-2-9(11-4-8)10(14)12-3-7-5-16-6-13-7/h5-6,8-9,11H,2-4H2,1H3,(H,12,14)
InChIKeyGTHFIQZZQBVAOH-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.14
Rot. Bonds4

About 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 63823916) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID63823916
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2cscn2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-8-2-9(11-4-8)10(14)12-3-7-5-16-6-13-7/h5-6,8-9,11H,2-4H2,1H3,(H,12,14)
InChIKeyGTHFIQZZQBVAOH-UHFFFAOYSA-N
XLogP0.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (CID 63823916) is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCc2cscn2)C1.
What is the InChIKey of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is GTHFIQZZQBVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-8-2-9(11-4-8)10(14)12-3-7-5-16-6-13-7/h5-6,8-9,11H,2-4H2,1H3,(H,12,14).
What are the key properties of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63823916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).