1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea

C14H14N4S — CID 5479699

IUPAC1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11-
InChIKeyVHVSCHSQNUUXNS-BOPFTXTBSA-N
MW270.36 g/mol
LogP2.79
Rot. Bonds3

About 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea

1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea (PubChem CID 5479699) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
PubChem CID5479699
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11-
InChIKeyVHVSCHSQNUUXNS-BOPFTXTBSA-N
XLogP2.79
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.79
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

Triapine
CID 9571836
4-Acetylpyridine thiosemicarbazone
CID 9561388
Pyridine-2-carbothioic acid phenylamide
CID 759327
(2E)-2-(1-(2-Pyridinyl)ethylidene)hydrazinecarbothioamide
CID 5480198
Hydrazinecarbothioamide, 2-(1-(3-pyridinyl)ethylidene)-, (E)-
CID 5743115
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Thiosemicarbazone H
CID 5494319
1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide
CID 5921672
methyl N-((E)-1-pyridin-2-ylethylideneamino)carbamodithioate
CID 5947235
Dp44mT
CID 10334137
1-phenyl-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea
CID 5369910
Ketone, methyl 2-pyridyl, 4-allyl-3-thiosemicarbazone
CID 5371064

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea?
The IUPAC name of 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea (CID 5479699) is 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea is C/C(=N/NC(=S)Nc1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea?
The InChIKey is VHVSCHSQNUUXNS-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)/b17-11-.
What are the key properties of 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea?
1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea has a molecular weight of 270.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5479699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).