1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea

C19H23N3O3S — CID 5447347

IUPAC1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea
SMILESCCOc1ccc(CNC(=S)N/N=C\c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-25-16-10-8-14(9-11-16)12-20-19(26)22-21-13-15-6-5-7-17(23-2)18(15)24-3/h5-11,13H,4,12H2,1-3H3,(H2,20,22,26)/b21-13-
InChIKeyLWORWGSRCICRFC-BKUYFWCQSA-N
MW373.48 g/mol
LogP3.10
Rot. Bonds8

About 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea

1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea (PubChem CID 5447347) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea
PubChem CID5447347
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea
SMILESCCOc1ccc(CNC(=S)N/N=C\c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H23N3O3S/c1-4-25-16-10-8-14(9-11-16)12-20-19(26)22-21-13-15-6-5-7-17(23-2)18(15)24-3/h5-11,13H,4,12H2,1-3H3,(H2,20,22,26)/b21-13-
InChIKeyLWORWGSRCICRFC-BKUYFWCQSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508409
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
CID 4532382
1-benzyl-3-[(4-ethoxyphenyl)methylideneamino]thiourea
CID 4593913
1-ethyl-3-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7710641
1-(4-ethoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 6903251
1-[(4-ethoxyphenyl)methyl]-3-(2-methylpropylideneamino)thiourea
CID 3676842
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4981057
1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(2-ethoxyphenyl)methylideneamino]thiourea
CID 9213315
1-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3632699
1-[(E)-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 44636928
1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6872025
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea (CID 5447347) is 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea is CCOc1ccc(CNC(=S)N/N=C\c2cccc(OC)c2OC)cc1.
What is the InChIKey of 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea?
The InChIKey is LWORWGSRCICRFC-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-25-16-10-8-14(9-11-16)12-20-19(26)22-21-13-15-6-5-7-17(23-2)18(15)24-3/h5-11,13H,4,12H2,1-3H3,(H2,20,22,26)/b21-13-.
What are the key properties of 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea?
1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea has a molecular weight of 373.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-[(4-ethoxyphenyl)methyl]thiourea is sourced from PubChem (CID 5447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).