2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine

C11H18N8S2 — CID 57203294

IUPAC2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine
SMILESCCN(CCSCc1csc(N=C(N)N)n1)/C(N)=N/C#N
InChIInChI=1S/C11H18N8S2/c1-2-19(10(15)16-7-12)3-4-20-5-8-6-21-11(17-8)18-9(13)14/h6H,2-5H2,1H3,(H2,15,16)(H4,13,14,17,18)
InChIKeyAVXMQFOZCCESJG-UHFFFAOYSA-N
MW326.46 g/mol
LogP0.40
Rot. Bonds7

About 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine

2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine (PubChem CID 57203294) has the molecular formula C11H18N8S2 and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine
PubChem CID57203294
Molecular FormulaC11H18N8S2
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine
SMILESCCN(CCSCc1csc(N=C(N)N)n1)/C(N)=N/C#N
InChIInChI=1S/C11H18N8S2/c1-2-19(10(15)16-7-12)3-4-20-5-8-6-21-11(17-8)18-9(13)14/h6H,2-5H2,1H3,(H2,15,16)(H4,13,14,17,18)
InChIKeyAVXMQFOZCCESJG-UHFFFAOYSA-N
XLogP0.40
TPSA142.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylazanium
CID 4192536
2-[4-(1-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
CID 161001500
N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride
CID 88621736
methyl 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanoate
CID 12790764
N-acetyl-N-[3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidoyl]acetamide
CID 150149309
(Z)-but-2-enedioic acid;1-cyano-2-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]guanidine
CID 88752112
2-[4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
CID 135849588
2-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-(methylsulfamoyl)guanidine
CID 70458329
2-(diaminomethylideneamino)-4-[[(3Z)-3-(sulfinatohydrazinylidene)butyl]sulfanylmethyl]-1,3-thiazole
CID 172938834
1-benzyl-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]thiourea
CID 88725276
2-[4-[2-(1,1-dioxo-4H-1,2,4,6-thiatriazin-3-yl)ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
CID 172858602
2-(diaminomethylideneamino)-4-[[3-oxo-3-(2-sulfinatohydrazinyl)propyl]sulfanylmethyl]-1,3-thiazole
CID 175114181

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine?
The IUPAC name of 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine (CID 57203294) is 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine.
What is the SMILES notation for 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine?
The canonical SMILES for 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine is CCN(CCSCc1csc(N=C(N)N)n1)/C(N)=N/C#N.
What is the InChIKey of 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine?
The InChIKey is AVXMQFOZCCESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8S2/c1-2-19(10(15)16-7-12)3-4-20-5-8-6-21-11(17-8)18-9(13)14/h6H,2-5H2,1H3,(H2,15,16)(H4,13,14,17,18).
What are the key properties of 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine?
2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine has a molecular weight of 326.46 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-ethylguanidine is sourced from PubChem (CID 57203294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).