N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide

C18H15ClN4O3S — CID 135795602

IUPACN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
SMILESCOc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2cccc(O)c2)s1
InChIInChI=1S/C18H15ClN4O3S/c1-26-14-8-3-2-7-13(14)21-18-22-16(19)15(27-18)10-20-23-17(25)11-5-4-6-12(24)9-11/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+
InChIKeyXDLVECDUPXFUJD-KEBDBYFISA-N
MW402.86 g/mol
LogP4.02
Rot. Bonds6

About N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide

N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide (PubChem CID 135795602) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
PubChem CID135795602
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC NameN-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
SMILESCOc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2cccc(O)c2)s1
InChIInChI=1S/C18H15ClN4O3S/c1-26-14-8-3-2-7-13(14)21-18-22-16(19)15(27-18)10-20-23-17(25)11-5-4-6-12(24)9-11/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+
InChIKeyXDLVECDUPXFUJD-KEBDBYFISA-N
XLogP4.02
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
CID 135795600
tert-butyl N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]carbamate
CID 135795523
4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
CID 135795531
N-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-3-hydroxybenzamide
CID 9234451
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
CID 135795534
N-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-2-hydroxybenzamide
CID 135730529
N-[(2-chloro-5-phenylthiophen-3-yl)methylideneamino]-3-hydroxybenzamide
CID 1237486
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
3-hydroxy-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6911453
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide (CID 135795602) is N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide is COc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2cccc(O)c2)s1.
What is the InChIKey of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide?
The InChIKey is XDLVECDUPXFUJD-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c1-26-14-8-3-2-7-13(14)21-18-22-16(19)15(27-18)10-20-23-17(25)11-5-4-6-12(24)9-11/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+.
What are the key properties of N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide?
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide has a molecular weight of 402.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 135795602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).