1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine

C16H20N4S — CID 122097435

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine
SMILESCc1ncsc1CC/N=C(\N)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N4S/c1-11-15(21-10-19-11)7-8-18-16(17)20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8H2,1H3,(H3,17,18,20)
InChIKeyOGJJNIHEWZWGNG-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine (PubChem CID 122097435) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine
PubChem CID122097435
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine
SMILESCc1ncsc1CC/N=C(\N)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N4S/c1-11-15(21-10-19-11)7-8-18-16(17)20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8H2,1H3,(H3,17,18,20)
InChIKeyOGJJNIHEWZWGNG-UHFFFAOYSA-N
XLogP2.91
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.91
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-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine;hydroiodide
CID 119159418
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111078308
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111034965
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111076340
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032707
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111816505
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088263
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111080395

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine (CID 122097435) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine is Cc1ncsc1CC/N=C(\N)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine?
The InChIKey is OGJJNIHEWZWGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-11-15(21-10-19-11)7-8-18-16(17)20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10H,2-4,7-8H2,1H3,(H3,17,18,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine has a molecular weight of 300.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 122097435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).