4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

C15H11Cl2N3OS — CID 6862717

IUPAC4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)o1
InChIInChI=1S/C15H11Cl2N3OS/c1-9-2-4-11(21-9)7-18-20-15-19-14(8-22-15)12-5-3-10(16)6-13(12)17/h2-8H,1H3,(H,19,20)/b18-7+
InChIKeyPHNFIZKVAQVOHY-CNHKJKLMSA-N
MW352.25 g/mol
LogP5.46
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 6862717) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID6862717
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)o1
InChIInChI=1S/C15H11Cl2N3OS/c1-9-2-4-11(21-9)7-18-20-15-19-14(8-22-15)12-5-3-10(16)6-13(12)17/h2-8H,1H3,(H,19,20)/b18-7+
InChIKeyPHNFIZKVAQVOHY-CNHKJKLMSA-N
XLogP5.46
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745532
4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 124541077
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875
4-(2,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3816457
5-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 110339448
1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135648455
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135822187
[4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 6030234
[4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 124541070

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine (CID 6862717) is 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1ccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)o1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is PHNFIZKVAQVOHY-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c1-9-2-4-11(21-9)7-18-20-15-19-14(8-22-15)12-5-3-10(16)6-13(12)17/h2-8H,1H3,(H,19,20)/b18-7+.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 352.25 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6862717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).