2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine

C14H19N5OS — CID 14140427

IUPAC2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCCOCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1
InChIInChI=1S/C14H19N5OS/c1-3-20-9-8-16-13(15)17-14-19-18-12(21-14)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,15,16,17,19)
InChIKeyKGRPBZKANYQPPZ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine

2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine (PubChem CID 14140427) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
PubChem CID14140427
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESCCOCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1
InChIInChI=1S/C14H19N5OS/c1-3-20-9-8-16-13(15)17-14-19-18-12(21-14)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,15,16,17,19)
InChIKeyKGRPBZKANYQPPZ-UHFFFAOYSA-N
XLogP2.28
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
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 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The IUPAC name of 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine (CID 14140427) is 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The canonical SMILES for 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine is CCOCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1.
What is the InChIKey of 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The InChIKey is KGRPBZKANYQPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-20-9-8-16-13(15)17-14-19-18-12(21-14)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,15,16,17,19).
What are the key properties of 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine?
2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine has a molecular weight of 305.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine is sourced from PubChem (CID 14140427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).