4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide

C19H23N5O2S — CID 118292216

IUPAC4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide
SMILESCC(=O)Nc1nnc(-c2ccc(C(=O)N(C3CCNCC3)C3CC3)cc2)s1
InChIInChI=1S/C19H23N5O2S/c1-12(25)21-19-23-22-17(27-19)13-2-4-14(5-3-13)18(26)24(15-6-7-15)16-8-10-20-11-9-16/h2-5,15-16,20H,6-11H2,1H3,(H,21,23,25)
InChIKeyUZXSWZPQFOYNCZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.52
Rot. Bonds5

About 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide

4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide (PubChem CID 118292216) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide
PubChem CID118292216
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide
SMILESCC(=O)Nc1nnc(-c2ccc(C(=O)N(C3CCNCC3)C3CC3)cc2)s1
InChIInChI=1S/C19H23N5O2S/c1-12(25)21-19-23-22-17(27-19)13-2-4-14(5-3-13)18(26)24(15-6-7-15)16-8-10-20-11-9-16/h2-5,15-16,20H,6-11H2,1H3,(H,21,23,25)
InChIKeyUZXSWZPQFOYNCZ-UHFFFAOYSA-N
XLogP2.52
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
CID 46988006
4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
CID 118292196
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
N-cyclohexyl-3,5-dimethoxy-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42736526
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
N-[3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-cyclohexyl-3,5-dimethoxybenzamide
CID 3933907
N-[5-[cyclopropyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110726801
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
CID 1451435
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-cyclohexyl-2-methoxy-N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 3458624

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide (CID 118292216) is 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide is CC(=O)Nc1nnc(-c2ccc(C(=O)N(C3CCNCC3)C3CC3)cc2)s1.
What is the InChIKey of 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide?
The InChIKey is UZXSWZPQFOYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12(25)21-19-23-22-17(27-19)13-2-4-14(5-3-13)18(26)24(15-6-7-15)16-8-10-20-11-9-16/h2-5,15-16,20H,6-11H2,1H3,(H,21,23,25).
What are the key properties of 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide?
4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 118292216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).