N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide

C14H13Cl2N5O2S — CID 3930604

IUPACN-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CC(=O)NN=Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H13Cl2N5O2S/c1-2-11(22)18-14-21-20-13(24-14)6-12(23)19-17-7-8-3-4-9(15)5-10(8)16/h3-5,7H,2,6H2,1H3,(H,19,23)(H,18,21,22)
InChIKeyNGRGFCSUQWIDPN-UHFFFAOYSA-N
MW386.26 g/mol
LogP2.89
Rot. Bonds6

About N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 3930604) has the molecular formula C14H13Cl2N5O2S and a molecular weight of 386.26 g/mol. Its IUPAC name is N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID3930604
Molecular FormulaC14H13Cl2N5O2S
Molecular Weight386.26 g/mol
Exact Mass385.02
IUPAC NameN-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CC(=O)NN=Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H13Cl2N5O2S/c1-2-11(22)18-14-21-20-13(24-14)6-12(23)19-17-7-8-3-4-9(15)5-10(8)16/h3-5,7H,2,6H2,1H3,(H,19,23)(H,18,21,22)
InChIKeyNGRGFCSUQWIDPN-UHFFFAOYSA-N
XLogP2.89
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2-chlorophenyl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
CID 4043213
N-[5-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 135899802
2,2-dichloro-N-[5-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6311857
2,2-dichloro-N-[5-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 137060092
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[5-[2-[(2Z)-2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 124544550
N-[5-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1087680
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
N-[5-[2-oxo-2-(2-propanoylhydrazinyl)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3584343
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
N-[5-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 137060171

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 3930604) is N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CC(=O)NN=Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is NGRGFCSUQWIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O2S/c1-2-11(22)18-14-21-20-13(24-14)6-12(23)19-17-7-8-3-4-9(15)5-10(8)16/h3-5,7H,2,6H2,1H3,(H,19,23)(H,18,21,22).
What are the key properties of N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 386.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 3930604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).