1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea

C19H23N5S — CID 170856640

IUPAC1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea
SMILESN/C(=N\NC(=S)NC1CCCCC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C19H23N5S/c20-18(23-24-19(25)22-16-9-5-2-6-10-16)17-13-15(11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H2,20,23)(H2,22,24,25)
InChIKeyXLFUCJBDFRTPKW-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.17
Rot. Bonds4

About 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea

1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea (PubChem CID 170856640) has the molecular formula C19H23N5S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea
PubChem CID170856640
Molecular FormulaC19H23N5S
Molecular Weight353.49 g/mol
Exact Mass353.17
IUPAC Name1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea
SMILESN/C(=N\NC(=S)NC1CCCCC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C19H23N5S/c20-18(23-24-19(25)22-16-9-5-2-6-10-16)17-13-15(11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H2,20,23)(H2,22,24,25)
InChIKeyXLFUCJBDFRTPKW-UHFFFAOYSA-N
XLogP3.17
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cyclohexyl-3-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]thiourea
CID 17337965
1-cyclohexyl-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
CID 4225121
1-cyclohexyl-3-[1-[6-[N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 162344959
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclohexyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135758726
1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 135612403
1-cyclohexyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thiourea
CID 9216690
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
CID 112538714
1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
CID 135731260
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea?
The IUPAC name of 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea (CID 170856640) is 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea?
The canonical SMILES for 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea is N/C(=N\NC(=S)NC1CCCCC1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea?
The InChIKey is XLFUCJBDFRTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c20-18(23-24-19(25)22-16-9-5-2-6-10-16)17-13-15(11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H2,20,23)(H2,22,24,25).
What are the key properties of 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea?
1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea has a molecular weight of 353.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea is sourced from PubChem (CID 170856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).