N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide

C16H14FN3OS2 — CID 7184544

IUPACN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c17-12-5-3-11(4-6-12)13-10-19-16(20-13)23-9-7-18-15(21)14-2-1-8-22-14/h1-6,8,10H,7,9H2,(H,18,21)(H,19,20)
InChIKeyHYHDCXPWDSTRFO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.80
Rot. Bonds6

About N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide

N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide (PubChem CID 7184544) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide
PubChem CID7184544
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c17-12-5-3-11(4-6-12)13-10-19-16(20-13)23-9-7-18-15(21)14-2-1-8-22-14/h1-6,8,10H,7,9H2,(H,18,21)(H,19,20)
InChIKeyHYHDCXPWDSTRFO-UHFFFAOYSA-N
XLogP3.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-4-yl)ethyl]-2-thiophenecarboxamide
CID 6457652
4-(p-CO-NH2)-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10018468
3-(2-{[2-(1H-Imidazol-5-yl)ethyl]sulfanyl}-1H-imidazol-5-yl)benzamide
CID 11723102
2-[2-(5-thiophen-3-yl-1H-imidazol-2-yl)ethyl]-3H-quinazolin-4-one
CID 136147441
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
2-[[2-(1,5-Diphenylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 24459242
4-(2-(3-((4-phenyl-1H-imidazol-2-yl)methyl)ureido)thiazol-5-ylthio)benzamide
CID 44435970
N-(4-(4-(4-fluorophenyl)-1-(2-methoxyethyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)thiophene-2-carboxamide
CID 52948905
N-[[4-(4-fluorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]butanamide
CID 136042377
N-ethyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide
CID 58284834
N-cyclopropyl-5-(2-methyl-4-phenylimidazol-1-yl)thiophene-2-carboxamide
CID 58284889
N-cyclopropyl-5-[4-(4-fluorophenyl)-2-methylimidazol-1-yl]thiophene-2-carboxamide
CID 58284916

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide (CID 7184544) is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide is O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccs1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide?
The InChIKey is HYHDCXPWDSTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-12-5-3-11(4-6-12)13-10-19-16(20-13)23-9-7-18-15(21)14-2-1-8-22-14/h1-6,8,10H,7,9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide?
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7184544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).