2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

C7H13N5S2 — CID 4192537

IUPAC2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCSCc1csc(N=C(N)N)n1
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)
InChIKeyJFINSZHXZPNADJ-UHFFFAOYSA-N
MW231.35 g/mol
LogP0.24
Rot. Bonds5

About 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 4192537) has the molecular formula C7H13N5S2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
PubChem CID4192537
Molecular FormulaC7H13N5S2
Molecular Weight231.35 g/mol
Exact Mass231.06
IUPAC Name2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
SMILESNCCSCc1csc(N=C(N)N)n1
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)
InChIKeyJFINSZHXZPNADJ-UHFFFAOYSA-N
XLogP0.24
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
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'}

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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-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine (CID 4192537) is 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine is NCCSCc1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is JFINSZHXZPNADJ-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 231.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 4192537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).