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

C10H10BrN5OS2 — CID 17014134

IUPAC5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(SC)ncc2Br)s1
InChIInChI=1S/C10H10BrN5OS2/c1-3-6-15-16-10(19-6)14-8(17)7-5(11)4-12-9(13-7)18-2/h4H,3H2,1-2H3,(H,14,16,17)
InChIKeyDWFOPOQFNBZPAB-UHFFFAOYSA-N
MW360.26 g/mol
LogP2.63
Rot. Bonds4

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

5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 17014134) has the molecular formula C10H10BrN5OS2 and a molecular weight of 360.26 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID17014134
Molecular FormulaC10H10BrN5OS2
Molecular Weight360.26 g/mol
Exact Mass358.95
IUPAC Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(SC)ncc2Br)s1
InChIInChI=1S/C10H10BrN5OS2/c1-3-6-15-16-10(19-6)14-8(17)7-5(11)4-12-9(13-7)18-2/h4H,3H2,1-2H3,(H,14,16,17)
InChIKeyDWFOPOQFNBZPAB-UHFFFAOYSA-N
XLogP2.63
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 30768649
5-bromo-2-methylsulfanyl-N-phenylpyrimidine-4-carboxamide
CID 17014128
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643158
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643170
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 107641312
butan-2-yl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
CID 123187615
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 17014134) is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide is CCc1nnc(NC(=O)c2nc(SC)ncc2Br)s1.
What is the InChIKey of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is DWFOPOQFNBZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5OS2/c1-3-6-15-16-10(19-6)14-8(17)7-5(11)4-12-9(13-7)18-2/h4H,3H2,1-2H3,(H,14,16,17).
What are the key properties of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 17014134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).