3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H20N4O2S — CID 134705450

IUPAC3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOCCc1nnc(NC(=O)c2cccc(N(C)C)c2)s1
InChIInChI=1S/C15H20N4O2S/c1-4-21-9-8-13-17-18-15(22-13)16-14(20)11-6-5-7-12(10-11)19(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,18,20)
InChIKeyFVZDFPKXDAXRQO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.44
Rot. Bonds7

About 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide

3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 134705450) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID134705450
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOCCc1nnc(NC(=O)c2cccc(N(C)C)c2)s1
InChIInChI=1S/C15H20N4O2S/c1-4-21-9-8-13-17-18-15(22-13)16-14(20)11-6-5-7-12(10-11)19(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,18,20)
InChIKeyFVZDFPKXDAXRQO-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[5-[2-[2-[5-[(3-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3101002
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 82176383
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-9H-xanthene-9-carboxamide
CID 2229462
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(dimethylamino)benzamide
CID 4147908
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 134705450) is 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide is CCOCCc1nnc(NC(=O)c2cccc(N(C)C)c2)s1.
What is the InChIKey of 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FVZDFPKXDAXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-21-9-8-13-17-18-15(22-13)16-14(20)11-6-5-7-12(10-11)19(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,18,20).
What are the key properties of 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 320.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 134705450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).