2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide

C11H11FN6S — CID 63668339

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11FN6S/c12-6-1-4-9(8(5-6)10(13)14)19-11-15-16-17-18(11)7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14)
InChIKeyLKDVFGMYHKDQLT-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.58
Rot. Bonds4

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide (PubChem CID 63668339) has the molecular formula C11H11FN6S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
PubChem CID63668339
Molecular FormulaC11H11FN6S
Molecular Weight278.32 g/mol
Exact Mass278.07
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11FN6S/c12-6-1-4-9(8(5-6)10(13)14)19-11-15-16-17-18(11)7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14)
InChIKeyLKDVFGMYHKDQLT-UHFFFAOYSA-N
XLogP1.58
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.58
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-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylbenzoic acid
CID 55105953
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
CID 63669702
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbenzaldehyde
CID 63803713
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 78951727
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 63291341
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide (CID 63668339) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Sc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide?
The InChIKey is LKDVFGMYHKDQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN6S/c12-6-1-4-9(8(5-6)10(13)14)19-11-15-16-17-18(11)7-2-3-7/h1,4-5,7H,2-3H2,(H3,13,14).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide has a molecular weight of 278.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63668339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).