5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide

C13H15BrN6S — CID 114893606

IUPAC5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H15BrN6S/c14-8-5-6-11(10(7-8)12(15)16)21-13-17-18-19-20(13)9-3-1-2-4-9/h5-7,9H,1-4H2,(H3,15,16)
InChIKeyVIYAIGVIDGXTAS-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.99
Rot. Bonds4

About 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide

5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide (PubChem CID 114893606) has the molecular formula C13H15BrN6S and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
PubChem CID114893606
Molecular FormulaC13H15BrN6S
Molecular Weight367.28 g/mol
Exact Mass366.03
IUPAC Name5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H15BrN6S/c14-8-5-6-11(10(7-8)12(15)16)21-13-17-18-19-20(13)9-3-1-2-4-9/h5-7,9H,1-4H2,(H3,15,16)
InChIKeyVIYAIGVIDGXTAS-UHFFFAOYSA-N
XLogP2.99
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.99
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
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 82972461
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63818099
(1R)-1-[3-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 78938534
1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 71898278
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylpyridin-3-amine
CID 61228113
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide (CID 114893606) is 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The InChIKey is VIYAIGVIDGXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6S/c14-8-5-6-11(10(7-8)12(15)16)21-13-17-18-19-20(13)9-3-1-2-4-9/h5-7,9H,1-4H2,(H3,15,16).
What are the key properties of 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide has a molecular weight of 367.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 114893606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).