1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H17BrN4O2S2 — CID 55957477

IUPAC1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1
InChIInChI=1S/C19H17BrN4O2S2/c20-14-3-1-12(2-4-14)15-5-6-16(28-15)18(26)24-9-7-13(8-10-24)17(25)22-19-23-21-11-27-19/h1-6,11,13H,7-10H2,(H,22,23,25)
InChIKeySBCMPBIEJMWLEM-UHFFFAOYSA-N
MW477.41 g/mol
LogP4.52
Rot. Bonds4

About 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55957477) has the molecular formula C19H17BrN4O2S2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID55957477
Molecular FormulaC19H17BrN4O2S2
Molecular Weight477.41 g/mol
Exact Mass476.00
IUPAC Name1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1
InChIInChI=1S/C19H17BrN4O2S2/c20-14-3-1-12(2-4-14)15-5-6-16(28-15)18(26)24-9-7-13(8-10-24)17(25)22-19-23-21-11-27-19/h1-6,11,13H,7-10H2,(H,22,23,25)
InChIKeySBCMPBIEJMWLEM-UHFFFAOYSA-N
XLogP4.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957222
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523241
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
1-(2-iodo-5-nitrobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957732
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 98726037
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55958755
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46467777

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 55957477) is 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CC1.
What is the InChIKey of 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is SBCMPBIEJMWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2S2/c20-14-3-1-12(2-4-14)15-5-6-16(28-15)18(26)24-9-7-13(8-10-24)17(25)22-19-23-21-11-27-19/h1-6,11,13H,7-10H2,(H,22,23,25).
What are the key properties of 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 477.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55957477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).