3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide

C10H11BrN4OS — CID 146087526

IUPAC3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2nc(C)n(C)n2)c1Br
InChIInChI=1S/C10H11BrN4OS/c1-5-4-17-8(7(5)11)9(16)13-10-12-6(2)15(3)14-10/h4H,1-3H3,(H,13,14,16)
InChIKeyGASTYBXXBLWFBV-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.51
Rot. Bonds2

About 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide

3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide (PubChem CID 146087526) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide
PubChem CID146087526
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2nc(C)n(C)n2)c1Br
InChIInChI=1S/C10H11BrN4OS/c1-5-4-17-8(7(5)11)9(16)13-10-12-6(2)15(3)14-10/h4H,1-3H3,(H,13,14,16)
InChIKeyGASTYBXXBLWFBV-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide (CID 146087526) is 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2nc(C)n(C)n2)c1Br.
What is the InChIKey of 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is GASTYBXXBLWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-5-4-17-8(7(5)11)9(16)13-10-12-6(2)15(3)14-10/h4H,1-3H3,(H,13,14,16).
What are the key properties of 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide?
3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 146087526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).