[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea

C17H17Cl2N3OS — CID 6287661

IUPAC[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea
SMILESCc1cc(C)c(CSc2cc(Cl)ccc2Cl)cc1/C=N\NC(N)=O
InChIInChI=1S/C17H17Cl2N3OS/c1-10-5-11(2)13(6-12(10)8-21-22-17(20)23)9-24-16-7-14(18)3-4-15(16)19/h3-8H,9H2,1-2H3,(H3,20,22,23)/b21-8-
InChIKeyRXXKXIBDVCMIQH-WNFQYIGGSA-N
MW382.32 g/mol
LogP4.90
Rot. Bonds5

About [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea

[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea (PubChem CID 6287661) has the molecular formula C17H17Cl2N3OS and a molecular weight of 382.32 g/mol. Its IUPAC name is [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea
PubChem CID6287661
Molecular FormulaC17H17Cl2N3OS
Molecular Weight382.32 g/mol
Exact Mass381.05
IUPAC Name[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea
SMILESCc1cc(C)c(CSc2cc(Cl)ccc2Cl)cc1/C=N\NC(N)=O
InChIInChI=1S/C17H17Cl2N3OS/c1-10-5-11(2)13(6-12(10)8-21-22-17(20)23)9-24-16-7-14(18)3-4-15(16)19/h3-8H,9H2,1-2H3,(H3,20,22,23)/b21-8-
InChIKeyRXXKXIBDVCMIQH-WNFQYIGGSA-N
XLogP4.90
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.90
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'}

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Related Compounds

[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[[5-chloro-2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3559416
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
methyl (4S)-6-amino-5-cyano-4-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 7025827
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]urea
CID 168532706
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947

Frequently Asked Questions

What is the IUPAC name of [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea (CID 6287661) is [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea is Cc1cc(C)c(CSc2cc(Cl)ccc2Cl)cc1/C=N\NC(N)=O.
What is the InChIKey of [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea?
The InChIKey is RXXKXIBDVCMIQH-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H17Cl2N3OS/c1-10-5-11(2)13(6-12(10)8-21-22-17(20)23)9-24-16-7-14(18)3-4-15(16)19/h3-8H,9H2,1-2H3,(H3,20,22,23)/b21-8-.
What are the key properties of [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea?
[(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea has a molecular weight of 382.32 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[5-[(2,5-dichlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]methylideneamino]urea is sourced from PubChem (CID 6287661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).