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

C12H20N4S — CID 110989379

IUPAC1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(C)n1)NC1CC1
InChIInChI=1S/C12H20N4S/c1-3-13-12(16-10-4-5-10)14-7-6-11-8-17-9(2)15-11/h8,10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyRVXOGKJSQLVJRU-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.71
Rot. Bonds5

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

1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 110989379) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID110989379
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(C)n1)NC1CC1
InChIInChI=1S/C12H20N4S/c1-3-13-12(16-10-4-5-10)14-7-6-11-8-17-9(2)15-11/h8,10H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyRVXOGKJSQLVJRU-UHFFFAOYSA-N
XLogP1.71
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.71
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-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317118
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256285
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]guanidine
CID 111190156
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
1-[1-(2-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111922691
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111002765
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109406815
2-cyclopentyl-N-[2-[[N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111934504
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]guanidine
CID 111140611
1-cyclopropyl-3-ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687799

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 110989379) is 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is CCN/C(=N\CCc1csc(C)n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is RVXOGKJSQLVJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-13-12(16-10-4-5-10)14-7-6-11-8-17-9(2)15-11/h8,10H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 252.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 110989379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).