5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide

C16H23N5O2S — CID 15615547

IUPAC5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
SMILESCCCCCCN(C)C(=O)c1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C16H23N5O2S/c1-3-4-5-6-9-21(2)14(22)13-8-7-12(23-13)11-10-24-16(19-11)20-15(17)18/h7-8,10H,3-6,9H2,1-2H3,(H4,17,18,19,20)
InChIKeyAABBLMAOQGGCKQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.96
Rot. Bonds8

About 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide

5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide (PubChem CID 15615547) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
PubChem CID15615547
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
SMILESCCCCCCN(C)C(=O)c1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C16H23N5O2S/c1-3-4-5-6-9-21(2)14(22)13-8-7-12(23-13)11-10-24-16(19-11)20-15(17)18/h7-8,10H,3-6,9H2,1-2H3,(H4,17,18,19,20)
InChIKeyAABBLMAOQGGCKQ-UHFFFAOYSA-N
XLogP2.96
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide 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

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 174347287
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methylurea
CID 19439678
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
methyl N'-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamimidothioate;hydroiodide
CID 67807358
N-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 110693619
2-[4-[5-[amino-(3-amino-1H-1,2,4-triazol-5-yl)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 67819798
N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383767
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide (CID 15615547) is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide is CCCCCCN(C)C(=O)c1ccc(-c2csc(N=C(N)N)n2)o1.
What is the InChIKey of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide?
The InChIKey is AABBLMAOQGGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-4-5-6-9-21(2)14(22)13-8-7-12(23-13)11-10-24-16(19-11)20-15(17)18/h7-8,10H,3-6,9H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide?
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide is sourced from PubChem (CID 15615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).