1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

C17H22N4OS — CID 111600156

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1csc(CCC/N=C(\N)NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H22N4OS/c1-12-11-23-16(20-12)7-4-9-19-17(18)21-14-8-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H3,18,19,21)
InChIKeyWKZXDOOUANICJO-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.81
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (PubChem CID 111600156) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
PubChem CID111600156
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCc1csc(CCC/N=C(\N)NC2CCOc3ccccc32)n1
InChIInChI=1S/C17H22N4OS/c1-12-11-23-16(20-12)7-4-9-19-17(18)21-14-8-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H3,18,19,21)
InChIKeyWKZXDOOUANICJO-UHFFFAOYSA-N
XLogP2.81
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111817234
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]guanidine
CID 122097428
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 119148401
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111815201
1-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111817826
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111814145
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111597858
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111597857
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111598925
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-methylphenyl)sulfanylethyl]guanidine
CID 119140682

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (CID 111600156) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is Cc1csc(CCC/N=C(\N)NC2CCOc3ccccc32)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The InChIKey is WKZXDOOUANICJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-11-23-16(20-12)7-4-9-19-17(18)21-14-8-10-22-15-6-3-2-5-13(14)15/h2-3,5-6,11,14H,4,7-10H2,1H3,(H3,18,19,21).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine has a molecular weight of 330.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is sourced from PubChem (CID 111600156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).