1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea

C10H15N3OS2 — CID 6383625

IUPAC1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCOCCNC(=S)N/N=C\c1ccc(C)s1
InChIInChI=1S/C10H15N3OS2/c1-8-3-4-9(16-8)7-12-13-10(15)11-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H2,11,13,15)/b12-7-
InChIKeyZDMGMGCOUKAOOT-GHXNOFRVSA-N
MW257.38 g/mol
LogP1.50
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea

1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea (PubChem CID 6383625) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
PubChem CID6383625
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCOCCNC(=S)N/N=C\c1ccc(C)s1
InChIInChI=1S/C10H15N3OS2/c1-8-3-4-9(16-8)7-12-13-10(15)11-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H2,11,13,15)/b12-7-
InChIKeyZDMGMGCOUKAOOT-GHXNOFRVSA-N
XLogP1.50
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.50
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

1-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5217488
[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5396200
[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5363938
1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 6247269
1-[(4-ethylphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 3271002
1-(2-methoxyethyl)-3-[(2,3,4-trihydroxyphenyl)methylideneamino]thiourea
CID 4056507
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135612508
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 3924940
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 2378477
1-[(E)-anthracen-9-ylmethylideneamino]-3-(2-methoxyethyl)thiourea
CID 6906755
1-(2-methoxyethyl)-3-[(Z)-(3-methoxyphenyl)methylideneamino]thiourea
CID 6041187
N-butyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126010643

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea (CID 6383625) is 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea is COCCNC(=S)N/N=C\c1ccc(C)s1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The InChIKey is ZDMGMGCOUKAOOT-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-8-3-4-9(16-8)7-12-13-10(15)11-5-6-14-2/h3-4,7H,5-6H2,1-2H3,(H2,11,13,15)/b12-7-.
What are the key properties of 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea has a molecular weight of 257.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 6383625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).