2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

C6H10N4S — CID 103696917

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1cnc(CN=C(N)N)s1
InChIInChI=1S/C6H10N4S/c1-4-2-9-5(11-4)3-10-6(7)8/h2H,3H2,1H3,(H4,7,8,10)
InChIKeyLNKNVXLUBKFKSK-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.22
Rot. Bonds2

About 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 103696917) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID103696917
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCc1cnc(CN=C(N)N)s1
InChIInChI=1S/C6H10N4S/c1-4-2-9-5(11-4)3-10-6(7)8/h2H,3H2,1H3,(H4,7,8,10)
InChIKeyLNKNVXLUBKFKSK-UHFFFAOYSA-N
XLogP0.22
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111821337
2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
CID 111465365
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanimidamide
CID 130708139
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 114128975
3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495610
1-ethyl-3-(3-methylbutan-2-yl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111509892
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111495609
1-(3,3-dimethylbutyl)-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523786
2-(5-methyl-1,3-thiazol-2-yl)guanidine
CID 23545906
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 103696917) is 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is Cc1cnc(CN=C(N)N)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is LNKNVXLUBKFKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-2-9-5(11-4)3-10-6(7)8/h2H,3H2,1H3,(H4,7,8,10).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 170.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 103696917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).