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

C14H15BrN4OS — CID 46907670

IUPAC1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)s2)CC1
InChIInChI=1S/C14H15BrN4OS/c15-11-3-1-10(2-4-11)13-17-18-14(21-13)19-7-5-9(6-8-19)12(16)20/h1-4,9H,5-8H2,(H2,16,20)
InChIKeyKYMCGVZYRLXMKQ-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.67
Rot. Bonds3

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

1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907670) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907670
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)s2)CC1
InChIInChI=1S/C14H15BrN4OS/c15-11-3-1-10(2-4-11)13-17-18-14(21-13)19-7-5-9(6-8-19)12(16)20/h1-4,9H,5-8H2,(H2,16,20)
InChIKeyKYMCGVZYRLXMKQ-UHFFFAOYSA-N
XLogP2.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 46907692
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 4170820
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 803252
Ethyl 1-[5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate
CID 59524943
2-amino-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 4376910
2-(azetidin-3-yl)-N-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 121736907
1-[5-(5-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
CID 122047366
N-[1-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
CID 133514326
1-[4-[[5-(5-Bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133514407
N-[2-[[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 133514472
N-[[1-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
CID 133514532
1-[5-(5-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,N-diethylpiperidine-4-carboxamide
CID 133514740

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 46907670) is 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nnc(-c3ccc(Br)cc3)s2)CC1.
What is the InChIKey of 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is KYMCGVZYRLXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c15-11-3-1-10(2-4-11)13-17-18-14(21-13)19-7-5-9(6-8-19)12(16)20/h1-4,9H,5-8H2,(H2,16,20).
What are the key properties of 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).