[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea

C11H13N3OS — CID 93084415

IUPAC[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
SMILESCOc1ccc(/C=C\C=N/NC(N)=S)cc1
InChIInChI=1S/C11H13N3OS/c1-15-10-6-4-9(5-7-10)3-2-8-13-14-11(12)16/h2-8H,1H3,(H3,12,14,16)/b3-2-,13-8-
InChIKeyORFNREOSBWPYJL-YSWQPJJHSA-N
MW235.31 g/mol
LogP1.53
Rot. Bonds4

About [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea

[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea (PubChem CID 93084415) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
PubChem CID93084415
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
SMILESCOc1ccc(/C=C\C=N/NC(N)=S)cc1
InChIInChI=1S/C11H13N3OS/c1-15-10-6-4-9(5-7-10)3-2-8-13-14-11(12)16/h2-8H,1H3,(H3,12,14,16)/b3-2-,13-8-
InChIKeyORFNREOSBWPYJL-YSWQPJJHSA-N
XLogP1.53
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[3-(3-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 86633308
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952
[(E)-[(E)-3-(4-methylsulfonylphenyl)prop-2-enylidene]amino]thiourea
CID 87243266
[3-(2-methoxyphenyl)prop-2-enylideneamino]thiourea
CID 57221575
1-[(4-methoxyphenyl)methyl]-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 9176276
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4656498
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024
(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
CID 14494147
1-amino-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 2728543
1-carbamothioyl-3-[(4-methoxyphenyl)methylidene]thiourea
CID 3769571
[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 6474566
2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide
CID 74258795

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea (CID 93084415) is [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea is COc1ccc(/C=C\C=N/NC(N)=S)cc1.
What is the InChIKey of [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea?
The InChIKey is ORFNREOSBWPYJL-YSWQPJJHSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-10-6-4-9(5-7-10)3-2-8-13-14-11(12)16/h2-8H,1H3,(H3,12,14,16)/b3-2-,13-8-.
What are the key properties of [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea?
[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea has a molecular weight of 235.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea is sourced from PubChem (CID 93084415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).