N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide

C12H11BrN2OS — CID 17024255

IUPACN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)sc1C
InChIInChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyWEXQTNGZEYDILW-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.77
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 17024255) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID17024255
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cn2)sc1C
InChIInChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyWEXQTNGZEYDILW-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide (CID 17024255) is N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cn2)sc1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is WEXQTNGZEYDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-7-5-10(17-8(7)2)12(16)15-11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 17024255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).