2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine

C15H19N5S — CID 122099352

IUPAC2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2nnc(C3CC3)s2)c1
InChIInChI=1S/C15H19N5S/c1-2-10-4-3-5-12(8-10)18-15(16)17-9-13-19-20-14(21-13)11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3,(H3,16,17,18)
InChIKeyCKUKXTVKMIMVTH-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.90
Rot. Bonds5

About 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine (PubChem CID 122099352) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
PubChem CID122099352
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/Cc2nnc(C3CC3)s2)c1
InChIInChI=1S/C15H19N5S/c1-2-10-4-3-5-12(8-10)18-15(16)17-9-13-19-20-14(21-13)11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3,(H3,16,17,18)
InChIKeyCKUKXTVKMIMVTH-UHFFFAOYSA-N
XLogP2.90
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111066974
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111817462
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944
1-(3-ethylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111078093
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
CID 111090499
2-[(4-bromophenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111800437
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine
CID 111071234
1-(3-ethylphenyl)-2-(quinolin-4-ylmethyl)guanidine
CID 111751910
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine (CID 122099352) is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/Cc2nnc(C3CC3)s2)c1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine?
The InChIKey is CKUKXTVKMIMVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-2-10-4-3-5-12(8-10)18-15(16)17-9-13-19-20-14(21-13)11-6-7-11/h3-5,8,11H,2,6-7,9H2,1H3,(H3,16,17,18).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine?
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine has a molecular weight of 301.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 122099352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).