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

C7H12N4S — CID 62407842

IUPAC2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1nccs1
InChIInChI=1S/C7H12N4S/c1-9-7(8)11-3-2-6-10-4-5-12-6/h4-5H,2-3H2,1H3,(H3,8,9,11)
InChIKeyULPWWQUBOPPENN-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.22
Rot. Bonds3

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

2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine (PubChem CID 62407842) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
PubChem CID62407842
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1nccs1
InChIInChI=1S/C7H12N4S/c1-9-7(8)11-3-2-6-10-4-5-12-6/h4-5H,2-3H2,1H3,(H3,8,9,11)
InChIKeyULPWWQUBOPPENN-UHFFFAOYSA-N
XLogP0.22
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
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

2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988662
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988657
2-carbamothioyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63240426
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
sodium cis-(1R,4S)-2,3-dimethyl-4-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylate
CID 167888255
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 66237908
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine (CID 62407842) is 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine is C/N=C(\N)NCCc1nccs1.
What is the InChIKey of 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine?
The InChIKey is ULPWWQUBOPPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-9-7(8)11-3-2-6-10-4-5-12-6/h4-5H,2-3H2,1H3,(H3,8,9,11).
What are the key properties of 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine?
2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine has a molecular weight of 184.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 62407842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).