2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride

C14H16ClN5S — CID 139764291

IUPAC2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride
SMILESCSc1ccc(/C(=N\N=C(N)N)c2ccccc2)nc1.Cl
InChIInChI=1S/C14H15N5S.ClH/c1-20-11-7-8-12(17-9-11)13(18-19-14(15)16)10-5-3-2-4-6-10;/h2-9H,1H3,(H4,15,16,19);1H/b18-13-;
InChIKeyOGCZXNSKUKBRKE-AAKIMCHBSA-N
MW321.84 g/mol
LogP2.25
Rot. Bonds4

About 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride

2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride (PubChem CID 139764291) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride
PubChem CID139764291
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride
SMILESCSc1ccc(/C(=N\N=C(N)N)c2ccccc2)nc1.Cl
InChIInChI=1S/C14H15N5S.ClH/c1-20-11-7-8-12(17-9-11)13(18-19-14(15)16)10-5-3-2-4-6-10;/h2-9H,1H3,(H4,15,16,19);1H/b18-13-;
InChIKeyOGCZXNSKUKBRKE-AAKIMCHBSA-N
XLogP2.25
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride (CID 139764291) is 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride is CSc1ccc(/C(=N\N=C(N)N)c2ccccc2)nc1.Cl.
What is the InChIKey of 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride?
The InChIKey is OGCZXNSKUKBRKE-AAKIMCHBSA-N. The full InChI is InChI=1S/C14H15N5S.ClH/c1-20-11-7-8-12(17-9-11)13(18-19-14(15)16)10-5-3-2-4-6-10;/h2-9H,1H3,(H4,15,16,19);1H/b18-13-;.
What are the key properties of 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride?
2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride has a molecular weight of 321.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(5-methylsulfanyl-2-pyridinyl)-phenylmethylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 139764291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).