3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C18H18F3N3OS — CID 121154515

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C18H18F3N3OS/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)24-10-15(11-24)23-7-5-16-12(9-23)6-8-26-16/h1-4,6,8,15H,5,7,9-11H2,(H,22,25)
InChIKeyWUKSLSIOFUTNSU-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.04
Rot. Bonds2

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 121154515) has the molecular formula C18H18F3N3OS and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID121154515
Molecular FormulaC18H18F3N3OS
Molecular Weight381.42 g/mol
Exact Mass381.11
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2CCc3sccc3C2)C1
InChIInChI=1S/C18H18F3N3OS/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)24-10-15(11-24)23-7-5-16-12(9-23)6-8-26-16/h1-4,6,8,15H,5,7,9-11H2,(H,22,25)
InChIKeyWUKSLSIOFUTNSU-UHFFFAOYSA-N
XLogP4.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide with MolForge

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121153604
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121154547
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121154530
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)azetidine-1-carboxamide
CID 121153626
(8aS)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 95974335
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60611860
N-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-oxoethyl]benzamide
CID 121154435
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 121154537
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]pentan-1-one;hydrochloride
CID 119099941

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 121154515) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(N2CCc3sccc3C2)C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is WUKSLSIOFUTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3OS/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)24-10-15(11-24)23-7-5-16-12(9-23)6-8-26-16/h1-4,6,8,15H,5,7,9-11H2,(H,22,25).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 121154515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).