[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone

C20H15FN4OS — CID 53492004

IUPAC[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2cccs2)nc1NCc1ccccc1F
InChIInChI=1S/C20H15FN4OS/c21-16-10-5-4-9-15(16)13-22-20-23-18(17-11-6-12-27-17)24-25(20)19(26)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23,24)
InChIKeyAPDYQNYEIHNBQY-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.45
Rot. Bonds5

About [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone

[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone (PubChem CID 53492004) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone
PubChem CID53492004
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2cccs2)nc1NCc1ccccc1F
InChIInChI=1S/C20H15FN4OS/c21-16-10-5-4-9-15(16)13-22-20-23-18(17-11-6-12-27-17)24-25(20)19(26)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23,24)
InChIKeyAPDYQNYEIHNBQY-UHFFFAOYSA-N
XLogP4.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 2973632
[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone
CID 3570564
[5-[(2-methoxyphenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-phenylmethanone
CID 53491939
2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide
CID 99838357
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
(4-fluorophenyl)-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 2971989
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873
[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3377902
2-methyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3313878
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
(4-chlorophenyl)-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 3938972
[5-[(4-fluorophenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
CID 135334203

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The IUPAC name of [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone (CID 53492004) is [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1nc(-c2cccs2)nc1NCc1ccccc1F.
What is the InChIKey of [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone?
The InChIKey is APDYQNYEIHNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-16-10-5-4-9-15(16)13-22-20-23-18(17-11-6-12-27-17)24-25(20)19(26)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23,24).
What are the key properties of [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone?
[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone has a molecular weight of 378.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone is sourced from PubChem (CID 53492004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).