N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride

C15H15ClN6O2S — CID 45262610

IUPACN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2cccc(CNC(=O)c3ccco3)n2)cs1
InChIInChI=1S/C15H14N6O2S.ClH/c16-14(17)21-15-20-11(8-24-15)10-4-1-3-9(19-10)7-18-13(22)12-5-2-6-23-12;/h1-6,8H,7H2,(H,18,22)(H4,16,17,20,21);1H
InChIKeyPULYBPYVFSFGCC-UHFFFAOYSA-N
MW378.85 g/mol
LogP2.05
Rot. Bonds5

About N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride

N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride (PubChem CID 45262610) has the molecular formula C15H15ClN6O2S and a molecular weight of 378.85 g/mol. Its IUPAC name is N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride
PubChem CID45262610
Molecular FormulaC15H15ClN6O2S
Molecular Weight378.85 g/mol
Exact Mass378.07
IUPAC NameN-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2cccc(CNC(=O)c3ccco3)n2)cs1
InChIInChI=1S/C15H14N6O2S.ClH/c16-14(17)21-15-20-11(8-24-15)10-4-1-3-9(19-10)7-18-13(22)12-5-2-6-23-12;/h1-6,8H,7H2,(H,18,22)(H4,16,17,20,21);1H
InChIKeyPULYBPYVFSFGCC-UHFFFAOYSA-N
XLogP2.05
TPSA132.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 52.05
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride (CID 45262610) is N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride is Cl.NC(N)=Nc1nc(-c2cccc(CNC(=O)c3ccco3)n2)cs1.
What is the InChIKey of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is PULYBPYVFSFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S.ClH/c16-14(17)21-15-20-11(8-24-15)10-4-1-3-9(19-10)7-18-13(22)12-5-2-6-23-12;/h1-6,8H,7H2,(H,18,22)(H4,16,17,20,21);1H.
What are the key properties of N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride?
N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 45262610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).