6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride

C10H11ClN6OS — CID 18953863

IUPAC6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C10H10N6OS.ClH/c11-8(17)6-3-1-2-5(14-6)7-4-18-10(15-7)16-9(12)13;/h1-4H,(H2,11,17)(H4,12,13,15,16);1H
InChIKeyLDHZDKGGEPPSCS-UHFFFAOYSA-N
MW298.76 g/mol
LogP0.63
Rot. Bonds3

About 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride

6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 18953863) has the molecular formula C10H11ClN6OS and a molecular weight of 298.76 g/mol. Its IUPAC name is 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID18953863
Molecular FormulaC10H11ClN6OS
Molecular Weight298.76 g/mol
Exact Mass298.04
IUPAC Name6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2csc(N=C(N)N)n2)n1
InChIInChI=1S/C10H10N6OS.ClH/c11-8(17)6-3-1-2-5(14-6)7-4-18-10(15-7)16-9(12)13;/h1-4H,(H2,11,17)(H4,12,13,15,16);1H
InChIKeyLDHZDKGGEPPSCS-UHFFFAOYSA-N
XLogP0.63
TPSA133.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride (CID 18953863) is 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(-c2csc(N=C(N)N)n2)n1.
What is the InChIKey of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is LDHZDKGGEPPSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS.ClH/c11-8(17)6-3-1-2-5(14-6)7-4-18-10(15-7)16-9(12)13;/h1-4H,(H2,11,17)(H4,12,13,15,16);1H.
What are the key properties of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride?
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 298.76 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 18953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).