4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

C15H18N4O3S — CID 650381

IUPAC4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-4-12(20)16-11-7-5-10(6-8-11)14(21)17-15-19-18-13(23-15)9-22-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyKHTXREVOHAKBQD-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.68
Rot. Bonds7

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

4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 650381) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID650381
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-4-12(20)16-11-7-5-10(6-8-11)14(21)17-15-19-18-13(23-15)9-22-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyKHTXREVOHAKBQD-UHFFFAOYSA-N
XLogP2.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 944946
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-[(2-methylpropanoyl)amino]benzamide
CID 890150
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropanoylamino)benzamide
CID 1091333
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-[(trifluoroacetyl)amino]benzamide
CID 1514485
4-acetamido-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1825742
3-[(2-ethylbutanoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2963095
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 16551062
N-(5-Isobutyl-[1,3,4]thiadiazol-2-yl)-4-nitro-benzamide
CID 684707
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 777656
N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 891134
4-(acetylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 897457
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 978132

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 650381) is 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is KHTXREVOHAKBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-4-12(20)16-11-7-5-10(6-8-11)14(21)17-15-19-18-13(23-15)9-22-2/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 650381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).