1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

C11H21N5S — CID 106044130

IUPAC1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCc1nc(CCN/C(=N/CC(C)C)NN)cs1
InChIInChI=1S/C11H21N5S/c1-8(2)6-14-11(16-12)13-5-4-10-7-17-9(3)15-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,16)
InChIKeyHUOFHGALIXHXQA-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.06
Rot. Bonds5

About 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 106044130) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID106044130
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCc1nc(CCN/C(=N/CC(C)C)NN)cs1
InChIInChI=1S/C11H21N5S/c1-8(2)6-14-11(16-12)13-5-4-10-7-17-9(3)15-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,16)
InChIKeyHUOFHGALIXHXQA-UHFFFAOYSA-N
XLogP1.06
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenylpropyl)guanidine
CID 111343229
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111343228
1-butan-2-yl-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110946020
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
1-butan-2-yl-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110946019
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111711395
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022080
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111402200
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenylbutyl)guanidine;hydroiodide
CID 111367986
2-methyl-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111999640
1-[2-(diethylamino)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932134

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 106044130) is 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is Cc1nc(CCN/C(=N/CC(C)C)NN)cs1.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is HUOFHGALIXHXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-8(2)6-14-11(16-12)13-5-4-10-7-17-9(3)15-10/h7-8H,4-6,12H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 255.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 106044130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).