3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide

C19H16ClN3O2S — CID 135846424

IUPAC3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1sc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C19H16ClN3O2S/c1-11-17(26-19(21-11)13-6-8-16(24)9-7-13)12(2)22-23-18(25)14-4-3-5-15(20)10-14/h3-10,24H,1-2H3,(H,23,25)/b22-12+
InChIKeyXIPJKFYCPSNJRH-WSDLNYQXSA-N
MW385.88 g/mol
LogP4.63
Rot. Bonds4

About 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide

3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide (PubChem CID 135846424) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
PubChem CID135846424
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1sc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C19H16ClN3O2S/c1-11-17(26-19(21-11)13-6-8-16(24)9-7-13)12(2)22-23-18(25)14-4-3-5-15(20)10-14/h3-10,24H,1-2H3,(H,23,25)/b22-12+
InChIKeyXIPJKFYCPSNJRH-WSDLNYQXSA-N
XLogP4.63
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-nitrobenzamide
CID 135673252
methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
CID 135673312
2-(4-fluorophenyl)-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]acetamide
CID 135846526
3-chloro-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553417
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
1-tert-butyl-3-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]thiourea
CID 135846497
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide (CID 135846424) is 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(Cl)c1)c1sc(-c2ccc(O)cc2)nc1C.
What is the InChIKey of 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide?
The InChIKey is XIPJKFYCPSNJRH-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-17(26-19(21-11)13-6-8-16(24)9-7-13)12(2)22-23-18(25)14-4-3-5-15(20)10-14/h3-10,24H,1-2H3,(H,23,25)/b22-12+.
What are the key properties of 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide?
3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide is sourced from PubChem (CID 135846424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).