N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

C17H13Cl2N3S — CID 112538638

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C\c2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H13Cl2N3S/c1-11-16(12-6-3-2-4-7-12)21-17(23-11)22-20-10-13-14(18)8-5-9-15(13)19/h2-10H,1H3,(H,21,22)/b20-10-
InChIKeyIFDPJJQHAZXLKG-JMIUGGIZSA-N
MW362.29 g/mol
LogP5.87
Rot. Bonds4

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 112538638) has the molecular formula C17H13Cl2N3S and a molecular weight of 362.29 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID112538638
Molecular FormulaC17H13Cl2N3S
Molecular Weight362.29 g/mol
Exact Mass361.02
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C\c2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H13Cl2N3S/c1-11-16(12-6-3-2-4-7-12)21-17(23-11)22-20-10-13-14(18)8-5-9-15(13)19/h2-10H,1H3,(H,21,22)/b20-10-
InChIKeyIFDPJJQHAZXLKG-JMIUGGIZSA-N
XLogP5.87
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.29
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135590896
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2368851
2-chloro-6-ethoxy-4-[(Z)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781789
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
6-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]cyclohexa-1,5-diene-1-carboxylic acid
CID 139518908
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 112538638) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(N/N=C\c2c(Cl)cccc2Cl)nc1-c1ccccc1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is IFDPJJQHAZXLKG-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H13Cl2N3S/c1-11-16(12-6-3-2-4-7-12)21-17(23-11)22-20-10-13-14(18)8-5-9-15(13)19/h2-10H,1H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 362.29 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 112538638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).