N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide

C11H10BrN3OS — CID 33295313

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H10BrN3OS/c1-7-4-14-9(6-13-7)11(16)15-5-8-2-3-10(12)17-8/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyDJDAGTVUABODPU-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.54
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 33295313) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID33295313
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H10BrN3OS/c1-7-4-14-9(6-13-7)11(16)15-5-8-2-3-10(12)17-8/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyDJDAGTVUABODPU-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378352
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115116731
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115117022
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107030605
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide (CID 33295313) is N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is DJDAGTVUABODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-7-4-14-9(6-13-7)11(16)15-5-8-2-3-10(12)17-8/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 33295313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).