2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide

C11H11ClN6S — CID 55079659

IUPAC2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11ClN6S/c12-7-2-1-3-8(9(7)10(13)14)19-11-15-16-17-18(11)6-4-5-6/h1-3,6H,4-5H2,(H3,13,14)
InChIKeyTZLBGMVUTUZBMD-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide

2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide (PubChem CID 55079659) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
PubChem CID55079659
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11ClN6S/c12-7-2-1-3-8(9(7)10(13)14)19-11-15-16-17-18(11)6-4-5-6/h1-3,6H,4-5H2,(H3,13,14)
InChIKeyTZLBGMVUTUZBMD-UHFFFAOYSA-N
XLogP2.10
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.10
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-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63668339
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
1-[3-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 55131693
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide (CID 55079659) is 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Sc1nnnn1C1CC1.
What is the InChIKey of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The InChIKey is TZLBGMVUTUZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c12-7-2-1-3-8(9(7)10(13)14)19-11-15-16-17-18(11)6-4-5-6/h1-3,6H,4-5H2,(H3,13,14).
What are the key properties of 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide has a molecular weight of 294.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55079659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).