5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide

C12H11BrN4OS — CID 154765554

IUPAC5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide
SMILESCC1(c2nsc(NC(=O)c3ccc(Br)cn3)n2)CC1
InChIInChI=1S/C12H11BrN4OS/c1-12(4-5-12)10-16-11(19-17-10)15-9(18)8-3-2-7(13)6-14-8/h2-3,6H,4-5H2,1H3,(H,15,16,17,18)
InChIKeyMAXQSTVSVMEAJD-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide

5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide (PubChem CID 154765554) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide
PubChem CID154765554
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide
SMILESCC1(c2nsc(NC(=O)c3ccc(Br)cn3)n2)CC1
InChIInChI=1S/C12H11BrN4OS/c1-12(4-5-12)10-16-11(19-17-10)15-9(18)8-3-2-7(13)6-14-8/h2-3,6H,4-5H2,1H3,(H,15,16,17,18)
InChIKeyMAXQSTVSVMEAJD-UHFFFAOYSA-N
XLogP3.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 55153633
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422979
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxamide
CID 79107296
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide (CID 154765554) is 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide is CC1(c2nsc(NC(=O)c3ccc(Br)cn3)n2)CC1.
What is the InChIKey of 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide?
The InChIKey is MAXQSTVSVMEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c1-12(4-5-12)10-16-11(19-17-10)15-9(18)8-3-2-7(13)6-14-8/h2-3,6H,4-5H2,1H3,(H,15,16,17,18).
What are the key properties of 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide?
5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154765554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).