2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium

C7H14N5S2+ — CID 4192536

IUPAC2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium
SMILESNC(N)=Nc1nc(CSCC[NH3+])cs1
InChIInChI=1S/C7H13N5S2/c8-1-2-13-3-5-4-14-7(11-5)12-6(9)10/h4H,1-3,8H2,(H4,9,10,11,12)/p+1
InChIKeyJFINSZHXZPNADJ-UHFFFAOYSA-O
MW232.36 g/mol
LogP-0.48
Rot. Bonds5

About 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium

2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium (PubChem CID 4192536) has the molecular formula C7H14N5S2+ and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium.

Molecular Properties

Compound Name2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium
PubChem CID4192536
Molecular FormulaC7H14N5S2+
Molecular Weight232.36 g/mol
Exact Mass232.07
IUPAC Name2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium
SMILESNC(N)=Nc1nc(CSCC[NH3+])cs1
InChIInChI=1S/C7H13N5S2/c8-1-2-13-3-5-4-14-7(11-5)12-6(9)10/h4H,1-3,8H2,(H4,9,10,11,12)/p+1
InChIKeyJFINSZHXZPNADJ-UHFFFAOYSA-O
XLogP-0.48
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Famotidine
CID 5702160
Gastro
CID 3325
Panalba
CID 5353622
2-Amino-4-methylthiazole
CID 74143
Tiotidine
CID 50287
(2-Amino-1,3-thiazol-4-YL)methyl imidothiocarbamate dihydrochloride
CID 73232
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
Famotidine propanamide
CID 12760738
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-(methylsulfamoyl)propanimidamide
CID 12918382
N-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-methylpropanimidamide
CID 12961491
Famotidine cyanoamidine
CID 15572361
N-(4-Methyl-thiazol-2-ylmethyl)-guanidine
CID 15636971

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium?
The IUPAC name of 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium (CID 4192536) is 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium.
What is the SMILES notation for 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium?
The canonical SMILES for 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium is NC(N)=Nc1nc(CSCC[NH3+])cs1.
What is the InChIKey of 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium?
The InChIKey is JFINSZHXZPNADJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N5S2/c8-1-2-13-3-5-4-14-7(11-5)12-6(9)10/h4H,1-3,8H2,(H4,9,10,11,12)/p+1.
What are the key properties of 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium?
2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium has a molecular weight of 232.36 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium is sourced from PubChem (CID 4192536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).