N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide

C14H17N5O2S — CID 37349014

IUPACN'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H17N5O2S/c1-4-11-12(22-18-15-11)14(21)17-16-13(20)9-6-5-7-10(8-9)19(2)3/h5-8H,4H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyOBBJEIBPDLCPFH-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.24
Rot. Bonds4

About N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide

N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide (PubChem CID 37349014) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
PubChem CID37349014
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H17N5O2S/c1-4-11-12(22-18-15-11)14(21)17-16-13(20)9-6-5-7-10(8-9)19(2)3/h5-8H,4H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyOBBJEIBPDLCPFH-UHFFFAOYSA-N
XLogP1.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.24
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'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N'-[3-(dimethylamino)benzoyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 134019539
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 78811000
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide (CID 37349014) is N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide?
The InChIKey is OBBJEIBPDLCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-4-11-12(22-18-15-11)14(21)17-16-13(20)9-6-5-7-10(8-9)19(2)3/h5-8H,4H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide?
N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide has a molecular weight of 319.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 37349014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).