5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide

C10H9BrN4OS — CID 175367392

IUPAC5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnc(Br)s1
InChIInChI=1S/C10H9BrN4OS/c11-10-15-14-9(17-10)8(16)13-6-4-7-3-1-2-5-12-7/h1-3,5H,4,6H2,(H,13,16)
InChIKeyWGSLALBVGOMJCQ-UHFFFAOYSA-N
MW313.18 g/mol
LogP1.67
Rot. Bonds4

About 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide

5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 175367392) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID175367392
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnc(Br)s1
InChIInChI=1S/C10H9BrN4OS/c11-10-15-14-9(17-10)8(16)13-6-4-7-3-1-2-5-12-7/h1-3,5H,4,6H2,(H,13,16)
InChIKeyWGSLALBVGOMJCQ-UHFFFAOYSA-N
XLogP1.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
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2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
N-(2-pyridin-2-ylethyl)-2-thiophen-3-ylacetamide
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CID 32623665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide (CID 175367392) is 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCCc1ccccn1)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WGSLALBVGOMJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-10-15-14-9(17-10)8(16)13-6-4-7-3-1-2-5-12-7/h1-3,5H,4,6H2,(H,13,16).
What are the key properties of 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 175367392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).