methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate

C18H20N6O3S3 — CID 10322215

IUPACmethyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
SMILESCS/C(=N\Cc1ccc(-c2csc(N=C(N)N)n2)o1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N6O3S3/c1-11-3-6-13(7-4-11)30(25,26)24-17(28-2)21-9-12-5-8-15(27-12)14-10-29-18(22-14)23-16(19)20/h3-8,10H,9H2,1-2H3,(H,21,24)(H4,19,20,22,23)
InChIKeyHNSICMPXTFZMDW-UHFFFAOYSA-N
MW464.60 g/mol
LogP2.81
Rot. Bonds6

About methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate

methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate (PubChem CID 10322215) has the molecular formula C18H20N6O3S3 and a molecular weight of 464.60 g/mol. Its IUPAC name is methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
PubChem CID10322215
Molecular FormulaC18H20N6O3S3
Molecular Weight464.60 g/mol
Exact Mass464.08
IUPAC Namemethyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
SMILESCS/C(=N\Cc1ccc(-c2csc(N=C(N)N)n2)o1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N6O3S3/c1-11-3-6-13(7-4-11)30(25,26)24-17(28-2)21-9-12-5-8-15(27-12)14-10-29-18(22-14)23-16(19)20/h3-8,10H,9H2,1-2H3,(H,21,24)(H4,19,20,22,23)
InChIKeyHNSICMPXTFZMDW-UHFFFAOYSA-N
XLogP2.81
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate 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-[5-(2-hydrazinyl-2-oxoethyl)furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 10423776
2-[4-[5-[2-amino-2-(methylamino)-2-(sulfonylamino)ethyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 174347287
methyl N-(4-methylphenyl)sulfonyl-N'-prop-2-ynylcarbamimidothioate
CID 134123429
methyl N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate
CID 134132168
2-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-(methylsulfamoyl)guanidine
CID 70458329
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
(4-methylphenyl)sulfonylurea;urea
CID 160676948
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-hexyl-N-methylfuran-2-carboxamide
CID 15615547
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
2-[4-(furan-2-yl)-1,3-thiazol-2-yl]guanidine
CID 13387169
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753

Frequently Asked Questions

What is the IUPAC name of methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate?
The IUPAC name of methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate (CID 10322215) is methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate.
What is the SMILES notation for methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate?
The canonical SMILES for methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate is CS/C(=N\Cc1ccc(-c2csc(N=C(N)N)n2)o1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate?
The InChIKey is HNSICMPXTFZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S3/c1-11-3-6-13(7-4-11)30(25,26)24-17(28-2)21-9-12-5-8-15(27-12)14-10-29-18(22-14)23-16(19)20/h3-8,10H,9H2,1-2H3,(H,21,24)(H4,19,20,22,23).
What are the key properties of methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate?
methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate has a molecular weight of 464.60 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]-N-(4-methylphenyl)sulfonylcarbamimidothioate is sourced from PubChem (CID 10322215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).