1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea

C19H29N3O2S — CID 112538633

IUPAC1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
SMILESCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OCC
InChIInChI=1S/C19H29N3O2S/c1-3-12-24-17-11-10-15(13-18(17)23-4-2)14-20-22-19(25)21-16-8-6-5-7-9-16/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,21,22,25)/b20-14-
InChIKeyYKFVFFALKRYEQO-ZHZULCJRSA-N
MW363.53 g/mol
LogP4.00
Rot. Bonds8

About 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea (PubChem CID 112538633) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
PubChem CID112538633
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
SMILESCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OCC
InChIInChI=1S/C19H29N3O2S/c1-3-12-24-17-11-10-15(13-18(17)23-4-2)14-20-22-19(25)21-16-8-6-5-7-9-16/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,21,22,25)/b20-14-
InChIKeyYKFVFFALKRYEQO-ZHZULCJRSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 110339920
1-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 112538617
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
CID 4216944
1-cyclohexyl-3-[(3-methoxy-4-pentoxyphenyl)methylideneamino]thiourea
CID 19169990
1-cyclohexyl-3-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]thiourea
CID 98228966
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
1-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 45055337
1-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 92844135
1-cyclohexyl-3-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]thiourea
CID 110534785
1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820
1-cyclohexyl-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 5397037

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea (CID 112538633) is 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea is CCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1OCC.
What is the InChIKey of 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea?
The InChIKey is YKFVFFALKRYEQO-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-3-12-24-17-11-10-15(13-18(17)23-4-2)14-20-22-19(25)21-16-8-6-5-7-9-16/h10-11,13-14,16H,3-9,12H2,1-2H3,(H2,21,22,25)/b20-14-.
What are the key properties of 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea has a molecular weight of 363.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 112538633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).