N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C14H11FN6OS — CID 119055721

IUPACN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)s1
InChIInChI=1S/C14H11FN6OS/c15-12-7-6-11(23-12)8-16-17-13(22)9-21-19-14(18-20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)/b16-8+
InChIKeySIEVEKZDJJESSF-LZYBPNLTSA-N
MW330.35 g/mol
LogP1.69
Rot. Bonds5

About N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 119055721) has the molecular formula C14H11FN6OS and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID119055721
Molecular FormulaC14H11FN6OS
Molecular Weight330.35 g/mol
Exact Mass330.07
IUPAC NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)s1
InChIInChI=1S/C14H11FN6OS/c15-12-7-6-11(23-12)8-16-17-13(22)9-21-19-14(18-20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)/b16-8+
InChIKeySIEVEKZDJJESSF-LZYBPNLTSA-N
XLogP1.69
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8524097
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
N-[(3-bromophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 5235899
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614
N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 679121
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 1079468
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[[3-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4102305
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 679124

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 119055721) is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)s1.
What is the InChIKey of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is SIEVEKZDJJESSF-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11FN6OS/c15-12-7-6-11(23-12)8-16-17-13(22)9-21-19-14(18-20-21)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)/b16-8+.
What are the key properties of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 119055721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).