4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide

C11H10F2N6S — CID 81293385

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nnnn2C2CC2)c(F)c1
InChIInChI=1S/C11H10F2N6S/c12-7-3-5(10(14)15)4-8(13)9(7)20-11-16-17-18-19(11)6-1-2-6/h3-4,6H,1-2H2,(H3,14,15)
InChIKeyWAASLYIUVLDMMG-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.72
Rot. Bonds4

About 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide

4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide (PubChem CID 81293385) has the molecular formula C11H10F2N6S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
PubChem CID81293385
Molecular FormulaC11H10F2N6S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2nnnn2C2CC2)c(F)c1
InChIInChI=1S/C11H10F2N6S/c12-7-3-5(10(14)15)4-8(13)9(7)20-11-16-17-18-19(11)6-1-2-6/h3-4,6H,1-2H2,(H3,14,15)
InChIKeyWAASLYIUVLDMMG-UHFFFAOYSA-N
XLogP1.72
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.72
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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339
4-(cyclopentylmethylsulfanyl)-3,5-difluorobenzenecarboximidamide
CID 81286329
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293880
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(difluoromethoxy)-5-fluoroaniline
CID 63594401
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylbenzoic acid
CID 55105953

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide (CID 81293385) is 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2nnnn2C2CC2)c(F)c1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
The InChIKey is WAASLYIUVLDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N6S/c12-7-3-5(10(14)15)4-8(13)9(7)20-11-16-17-18-19(11)6-1-2-6/h3-4,6H,1-2H2,(H3,14,15).
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide?
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide has a molecular weight of 296.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).