[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea

C14H12ClN5OS — CID 135990550

IUPAC[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(/N=N/c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H12ClN5OS/c15-10-1-3-11(4-2-10)18-19-12-5-6-13(21)9(7-12)8-17-20-14(16)22/h1-8,21H,(H3,16,20,22)/b17-8?,19-18+
InChIKeyLNQDFTPAHRCXIL-BGKSAIBFSA-N
MW333.80 g/mol
LogP3.63
Rot. Bonds4

About [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea

[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea (PubChem CID 135990550) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
PubChem CID135990550
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC Name[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cc(/N=N/c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H12ClN5OS/c15-10-1-3-11(4-2-10)18-19-12-5-6-13(21)9(7-12)8-17-20-14(16)22/h1-8,21H,(H3,16,20,22)/b17-8?,19-18+
InChIKeyLNQDFTPAHRCXIL-BGKSAIBFSA-N
XLogP3.63
TPSA95.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
CID 135698985
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
[[2-hydroxy-5-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136598454
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
CID 60723528
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
CID 136657265
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
benzene;[(E)-(4-chlorophenyl)methylideneamino]thiourea;chlororuthenium(1+)
CID 86574279
[(Z)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700

Frequently Asked Questions

What is the IUPAC name of [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea?
The IUPAC name of [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea (CID 135990550) is [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea.
What is the SMILES notation for [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea?
The canonical SMILES for [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea is NC(=S)NN=Cc1cc(/N=N/c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea?
The InChIKey is LNQDFTPAHRCXIL-BGKSAIBFSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c15-10-1-3-11(4-2-10)18-19-12-5-6-13(21)9(7-12)8-17-20-14(16)22/h1-8,21H,(H3,16,20,22)/b17-8?,19-18+.
What are the key properties of [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea?
[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea has a molecular weight of 333.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea is sourced from PubChem (CID 135990550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).