1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea

C18H19N3OS2 — CID 9098371

IUPAC1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea
SMILESCOCCNC(=S)N=c1sccn1Cc1cccc2ccccc12
InChIInChI=1S/C18H19N3OS2/c1-22-11-9-19-17(23)20-18-21(10-12-24-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,10,12H,9,11,13H2,1H3,(H,19,23)
InChIKeyGTOOHUSTIRMLHU-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea

1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea (PubChem CID 9098371) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea
PubChem CID9098371
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea
SMILESCOCCNC(=S)N=c1sccn1Cc1cccc2ccccc12
InChIInChI=1S/C18H19N3OS2/c1-22-11-9-19-17(23)20-18-21(10-12-24-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,10,12H,9,11,13H2,1H3,(H,19,23)
InChIKeyGTOOHUSTIRMLHU-UHFFFAOYSA-N
XLogP3.17
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate
CID 9054250
1-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(3-methylsulfanylpropyl)thiourea
CID 9096846
1-(2-methoxyethyl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine
CID 110942824
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
1-(naphthalen-1-ylmethyl)-3-propylthiourea
CID 115596938
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7703150
2-[4-[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111412201
N'-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]-4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111518151

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea (CID 9098371) is 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea is COCCNC(=S)N=c1sccn1Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea?
The InChIKey is GTOOHUSTIRMLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-22-11-9-19-17(23)20-18-21(10-12-24-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,10,12H,9,11,13H2,1H3,(H,19,23).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea?
1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea has a molecular weight of 357.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]thiourea is sourced from PubChem (CID 9098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).