1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea

C19H17N3S — CID 7933456

IUPAC1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
SMILESCc1ccccc1NC(=S)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3S/c1-14-6-2-5-9-18(14)21-19(23)22-20-13-15-10-11-16-7-3-4-8-17(16)12-15/h2-13H,1H3,(H2,21,22,23)/b20-13-
InChIKeyRTQSMFBJNGQGLV-MOSHPQCFSA-N
MW319.43 g/mol
LogP4.47
Rot. Bonds3

About 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea

1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea (PubChem CID 7933456) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
PubChem CID7933456
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
SMILESCc1ccccc1NC(=S)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3S/c1-14-6-2-5-9-18(14)21-19(23)22-20-13-15-10-11-16-7-3-4-8-17(16)12-15/h2-13H,1H3,(H2,21,22,23)/b20-13-
InChIKeyRTQSMFBJNGQGLV-MOSHPQCFSA-N
XLogP4.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]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

1-(2-methylphenyl)-3-[(Z)-(4-methylsulfanylphenyl)methylideneamino]thiourea
CID 7933541
1-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135731002
1-(2-methylphenyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7933527
1-(2-methylphenyl)-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 6904284
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
CID 2424034
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 4037663
ethane;1-(2-methylphenyl)-3-[(E)-[3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazol-7-yl]methylideneamino]thiourea
CID 144775050
1-(2,3-dimethylphenyl)-3-[(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 2382747
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
1-(2-methylphenyl)-3-[[(Z)-3-phenylprop-2-enylidene]amino]thiourea
CID 129432045
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135612335

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea (CID 7933456) is 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea is Cc1ccccc1NC(=S)N/N=C\c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea?
The InChIKey is RTQSMFBJNGQGLV-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-6-2-5-9-18(14)21-19(23)22-20-13-15-10-11-16-7-3-4-8-17(16)12-15/h2-13H,1H3,(H2,21,22,23)/b20-13-.
What are the key properties of 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea?
1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea has a molecular weight of 319.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 7933456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).