1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide

C11H12F2N2O2S — CID 146140038

IUPAC1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)c2ccsc2C(F)F)C1
InChIInChI=1S/C11H12F2N2O2S/c1-11(10(14)17)4-15(5-11)9(16)6-2-3-18-7(6)8(12)13/h2-3,8H,4-5H2,1H3,(H2,14,17)
InChIKeyXTWVQONTZRIWIP-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide

1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide (PubChem CID 146140038) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide
PubChem CID146140038
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC Name1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)c2ccsc2C(F)F)C1
InChIInChI=1S/C11H12F2N2O2S/c1-11(10(14)17)4-15(5-11)9(16)6-2-3-18-7(6)8(12)13/h2-3,8H,4-5H2,1H3,(H2,14,17)
InChIKeyXTWVQONTZRIWIP-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide (CID 146140038) is 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide is CC1(C(N)=O)CN(C(=O)c2ccsc2C(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide?
The InChIKey is XTWVQONTZRIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c1-11(10(14)17)4-15(5-11)9(16)6-2-3-18-7(6)8(12)13/h2-3,8H,4-5H2,1H3,(H2,14,17).
What are the key properties of 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide?
1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide has a molecular weight of 274.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)thiophene-3-carbonyl]-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 146140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).