1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea

C19H18N4S — CID 2424034

IUPAC1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C19H18N4S/c1-13-5-7-17(14(2)10-13)22-19(24)23-21-12-15-6-8-18-16(11-15)4-3-9-20-18/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWFBYGAMLVVCWQR-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea

1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea (PubChem CID 2424034) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
PubChem CID2424034
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
SMILESCc1ccc(NC(=S)NN=Cc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C19H18N4S/c1-13-5-7-17(14(2)10-13)22-19(24)23-21-12-15-6-8-18-16(11-15)4-3-9-20-18/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWFBYGAMLVVCWQR-UHFFFAOYSA-N
XLogP4.17
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.17
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

1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 85063930
1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
CID 7933456
1-(anthracen-9-ylmethylideneamino)-3-(2,4-dimethylphenyl)thiourea
CID 4561308
1-[(3,5-dimethoxyphenyl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 4018614
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 4037663
1-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 18226944
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
1-(2,4-dimethylphenyl)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 135715701
6-methylquinoline
CID 7059
N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
CID 5131994
[(2R)-3-methyl-1-oxo-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]azanium;chloride;hydrochloride
CID 44664247
1-[(E)-(4-chloro-1-methylpyrazol-3-yl)methylideneamino]-3-(2,4-dimethylphenyl)thiourea
CID 22668980

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea (CID 2424034) is 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea is Cc1ccc(NC(=S)NN=Cc2ccc3ncccc3c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea?
The InChIKey is WFBYGAMLVVCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13-5-7-17(14(2)10-13)22-19(24)23-21-12-15-6-8-18-16(11-15)4-3-9-20-18/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea?
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea has a molecular weight of 334.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea is sourced from PubChem (CID 2424034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).