6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride

C11H14Cl2N6OS — CID 18953842

IUPAC6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)nc1-c1csc(N=C(N)N)n1.Cl.Cl
InChIInChI=1S/C11H12N6OS.2ClH/c1-5-2-3-6(9(12)18)15-8(5)7-4-19-11(16-7)17-10(13)14;;/h2-4H,1H3,(H2,12,18)(H4,13,14,16,17);2*1H
InChIKeyUCRZHAMEEAHHQJ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.36
Rot. Bonds3

About 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride

6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride (PubChem CID 18953842) has the molecular formula C11H14Cl2N6OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride
PubChem CID18953842
Molecular FormulaC11H14Cl2N6OS
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)nc1-c1csc(N=C(N)N)n1.Cl.Cl
InChIInChI=1S/C11H12N6OS.2ClH/c1-5-2-3-6(9(12)18)15-8(5)7-4-19-11(16-7)17-10(13)14;;/h2-4H,1H3,(H2,12,18)(H4,13,14,16,17);2*1H
InChIKeyUCRZHAMEEAHHQJ-UHFFFAOYSA-N
XLogP1.36
TPSA133.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.36
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'}

Analyze 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;hydrochloride
CID 18953863
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
N-[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide;hydrochloride
CID 45262727
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 67850414
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
2-[4-(6-amino-2-pyridinyl)-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 18953872
3-methylpyridine-2,6-dicarboxamide;dihydrochloride
CID 175165301
N-[[2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-4-pyridinyl]methyl]acetamide;dihydrochloride
CID 18953876
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
[6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]methylurea;dihydrochloride
CID 18953932

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride (CID 18953842) is 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride is Cc1ccc(C(N)=O)nc1-c1csc(N=C(N)N)n1.Cl.Cl.
What is the InChIKey of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is UCRZHAMEEAHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS.2ClH/c1-5-2-3-6(9(12)18)15-8(5)7-4-19-11(16-7)17-10(13)14;;/h2-4H,1H3,(H2,12,18)(H4,13,14,16,17);2*1H.
What are the key properties of 6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride?
6-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-5-methylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 349.25 g/mol, XLogP of 1.36, 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]-5-methylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 18953842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).