5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide

C10H11FN6S — CID 63291341

IUPAC5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CSc1nnnn1C
InChIInChI=1S/C10H11FN6S/c1-17-10(14-15-16-17)18-5-6-2-3-7(11)4-8(6)9(12)13/h2-4H,5H2,1H3,(H3,12,13)
InChIKeyMDQVWLULNYAANC-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.93
Rot. Bonds4

About 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide

5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 63291341) has the molecular formula C10H11FN6S and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID63291341
Molecular FormulaC10H11FN6S
Molecular Weight266.31 g/mol
Exact Mass266.07
IUPAC Name5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CSc1nnnn1C
InChIInChI=1S/C10H11FN6S/c1-17-10(14-15-16-17)18-5-6-2-3-7(11)4-8(6)9(12)13/h2-4H,5H2,1H3,(H3,12,13)
InChIKeyMDQVWLULNYAANC-UHFFFAOYSA-N
XLogP0.93
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
5-fluoro-2-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 63291250
5-fluoro-2-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114000764
3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 43376992
5-fluoro-2-[(3-methylphenyl)methylsulfanylmethyl]benzenecarboximidamide
CID 63291473
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339
4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
CID 43350210
3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
CID 80515873
3-[3-fluoro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic acid
CID 76908861
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 63539433
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
2-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118452

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide (CID 63291341) is 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CSc1nnnn1C.
What is the InChIKey of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is MDQVWLULNYAANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6S/c1-17-10(14-15-16-17)18-5-6-2-3-7(11)4-8(6)9(12)13/h2-4H,5H2,1H3,(H3,12,13).
What are the key properties of 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 266.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 63291341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).