1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine

C8H15N5S2 — CID 165350901

IUPAC1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCSCc1cnc(N)s1
InChIInChI=1S/C8H15N5S2/c1-11-7(9)12-2-3-14-5-6-4-13-8(10)15-6/h4H,2-3,5H2,1H3,(H2,10,13)(H3,9,11,12)
InChIKeyIQVQVVZHXHRKAM-UHFFFAOYSA-N
MW245.38 g/mol
LogP0.49
Rot. Bonds5

About 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine

1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine (PubChem CID 165350901) has the molecular formula C8H15N5S2 and a molecular weight of 245.38 g/mol. Its IUPAC name is 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine
PubChem CID165350901
Molecular FormulaC8H15N5S2
Molecular Weight245.38 g/mol
Exact Mass245.08
IUPAC Name1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCSCc1cnc(N)s1
InChIInChI=1S/C8H15N5S2/c1-11-7(9)12-2-3-14-5-6-4-13-8(10)15-6/h4H,2-3,5H2,1H3,(H2,10,13)(H3,9,11,12)
InChIKeyIQVQVVZHXHRKAM-UHFFFAOYSA-N
XLogP0.49
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine (CID 165350901) is 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine is C/N=C(\N)NCCSCc1cnc(N)s1.
What is the InChIKey of 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine?
The InChIKey is IQVQVVZHXHRKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S2/c1-11-7(9)12-2-3-14-5-6-4-13-8(10)15-6/h4H,2-3,5H2,1H3,(H2,10,13)(H3,9,11,12).
What are the key properties of 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine?
1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine has a molecular weight of 245.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]ethyl]-2-methylguanidine is sourced from PubChem (CID 165350901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).