2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide

C11H13F3N4O3S — CID 138019768

IUPAC2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)NCc2nc(C(N)=O)cs2)C1
InChIInChI=1S/C11H13F3N4O3S/c1-21-10(11(12,13)14)4-18(5-10)9(20)16-2-7-17-6(3-22-7)8(15)19/h3H,2,4-5H2,1H3,(H2,15,19)(H,16,20)
InChIKeyBFDVDXVXDRRJMC-UHFFFAOYSA-N
MW338.31 g/mol
LogP0.71
Rot. Bonds4

About 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide

2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 138019768) has the molecular formula C11H13F3N4O3S and a molecular weight of 338.31 g/mol. Its IUPAC name is 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID138019768
Molecular FormulaC11H13F3N4O3S
Molecular Weight338.31 g/mol
Exact Mass338.07
IUPAC Name2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)NCc2nc(C(N)=O)cs2)C1
InChIInChI=1S/C11H13F3N4O3S/c1-21-10(11(12,13)14)4-18(5-10)9(20)16-2-7-17-6(3-22-7)8(15)19/h3H,2,4-5H2,1H3,(H2,15,19)(H,16,20)
InChIKeyBFDVDXVXDRRJMC-UHFFFAOYSA-N
XLogP0.71
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 138019768) is 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide is COC1(C(F)(F)F)CN(C(=O)NCc2nc(C(N)=O)cs2)C1.
What is the InChIKey of 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BFDVDXVXDRRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3S/c1-21-10(11(12,13)14)4-18(5-10)9(20)16-2-7-17-6(3-22-7)8(15)19/h3H,2,4-5H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide?
2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-methoxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138019768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).