1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide

C8H11BrN4OS — CID 64623898

IUPAC1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-10-6(14)5-3-2-4-13(5)8-12-11-7(9)15-8/h5H,2-4H2,1H3,(H,10,14)
InChIKeyNRAZUFZUIBESAU-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.02
Rot. Bonds2

About 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide

1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 64623898) has the molecular formula C8H11BrN4OS and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID64623898
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-10-6(14)5-3-2-4-13(5)8-12-11-7(9)15-8/h5H,2-4H2,1H3,(H,10,14)
InChIKeyNRAZUFZUIBESAU-UHFFFAOYSA-N
XLogP1.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
CID 153404952
1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide
CID 80692104
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
(2S)-N-cyclopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 99857487
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106959889
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
1-[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 106959892
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
CID 66012640
1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 64623898) is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nnc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NRAZUFZUIBESAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4OS/c1-10-6(14)5-3-2-4-13(5)8-12-11-7(9)15-8/h5H,2-4H2,1H3,(H,10,14).
What are the key properties of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide?
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64623898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).