[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea

C15H17N3O2S — CID 168535833

IUPAC[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
SMILESCOCCOc1ccc2ccccc2c1C=NNC(N)=S
InChIInChI=1S/C15H17N3O2S/c1-19-8-9-20-14-7-6-11-4-2-3-5-12(11)13(14)10-17-18-15(16)21/h2-7,10H,8-9H2,1H3,(H3,16,18,21)
InChIKeyDMRMDLGYQKVAPJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.03
Rot. Bonds6

About [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea

[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea (PubChem CID 168535833) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
PubChem CID168535833
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
SMILESCOCCOc1ccc2ccccc2c1C=NNC(N)=S
InChIInChI=1S/C15H17N3O2S/c1-19-8-9-20-14-7-6-11-4-2-3-5-12(11)13(14)10-17-18-15(16)21/h2-7,10H,8-9H2,1H3,(H3,16,18,21)
InChIKeyDMRMDLGYQKVAPJ-UHFFFAOYSA-N
XLogP2.03
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.03
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788
[1-[(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 3335321
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
2-methoxy-4-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126017623
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399
ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624747
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451

Frequently Asked Questions

What is the IUPAC name of [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea?
The IUPAC name of [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea (CID 168535833) is [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea.
What is the SMILES notation for [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea?
The canonical SMILES for [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea is COCCOc1ccc2ccccc2c1C=NNC(N)=S.
What is the InChIKey of [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea?
The InChIKey is DMRMDLGYQKVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-19-8-9-20-14-7-6-11-4-2-3-5-12(11)13(14)10-17-18-15(16)21/h2-7,10H,8-9H2,1H3,(H3,16,18,21).
What are the key properties of [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea?
[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea has a molecular weight of 303.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea is sourced from PubChem (CID 168535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).