5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide

C19H19N3O2S3 — CID 43048855

IUPAC5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccccc2SCc2cscn2)cc1C
InChIInChI=1S/C19H19N3O2S3/c1-3-15-12(2)8-17(27-15)19(24)22-21-18(23)14-6-4-5-7-16(14)26-10-13-9-25-11-20-13/h4-9,11H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPDBXEAXARHDEEP-UHFFFAOYSA-N
MW417.58 g/mol
LogP4.44
Rot. Bonds6

About 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide (PubChem CID 43048855) has the molecular formula C19H19N3O2S3 and a molecular weight of 417.58 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
PubChem CID43048855
Molecular FormulaC19H19N3O2S3
Molecular Weight417.58 g/mol
Exact Mass417.06
IUPAC Name5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccccc2SCc2cscn2)cc1C
InChIInChI=1S/C19H19N3O2S3/c1-3-15-12(2)8-17(27-15)19(24)22-21-18(23)14-6-4-5-7-16(14)26-10-13-9-25-11-20-13/h4-9,11H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPDBXEAXARHDEEP-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36859277
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 134046822
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 163560062
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18155250

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide (CID 43048855) is 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccccc2SCc2cscn2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is PDBXEAXARHDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S3/c1-3-15-12(2)8-17(27-15)19(24)22-21-18(23)14-6-4-5-7-16(14)26-10-13-9-25-11-20-13/h4-9,11H,3,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 417.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 43048855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).