N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

C19H16N4O3S — CID 135699828

IUPACN-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(CC(=O)/N=C/c2ccccc2O)s1
InChIInChI=1S/C19H16N4O3S/c1-12-6-2-4-8-14(12)18(26)21-19-23-22-17(27-19)10-16(25)20-11-13-7-3-5-9-15(13)24/h2-9,11,24H,10H2,1H3,(H,21,23,26)/b20-11+
InChIKeyAIUKKARMKXBOIE-RGVLZGJSSA-N
MW380.43 g/mol
LogP2.99
Rot. Bonds5

About N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (PubChem CID 135699828) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
PubChem CID135699828
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(CC(=O)/N=C/c2ccccc2O)s1
InChIInChI=1S/C19H16N4O3S/c1-12-6-2-4-8-14(12)18(26)21-19-23-22-17(27-19)10-16(25)20-11-13-7-3-5-9-15(13)24/h2-9,11,24H,10H2,1H3,(H,21,23,26)/b20-11+
InChIKeyAIUKKARMKXBOIE-RGVLZGJSSA-N
XLogP2.99
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-[5-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1087680
2-methyl-N-[5-[2-oxo-2-[2-[[4-(2-phenoxyethoxy)phenyl]methylidene]hydrazinyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3839045
N-[5-(benzylideneamino)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 3433323
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-[5-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 135821757
5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazole-2-sulfonyl chloride
CID 100587660
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
CID 135606221
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
2-methyl-N-[5-[2-[(2E)-2-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 44660104
N-[5-[2-[(2E)-2-[[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 6869106
2-methyl-N-[5-[2-[2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3695897

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The IUPAC name of N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (CID 135699828) is N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nnc(CC(=O)/N=C/c2ccccc2O)s1.
What is the InChIKey of N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The InChIKey is AIUKKARMKXBOIE-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-6-2-4-8-14(12)18(26)21-19-23-22-17(27-19)10-16(25)20-11-13-7-3-5-9-15(13)24/h2-9,11,24H,10H2,1H3,(H,21,23,26)/b20-11+.
What are the key properties of N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide has a molecular weight of 380.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(2-hydroxyphenyl)methylideneamino]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 135699828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).