5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C12H14BrN3O2S — CID 71908387

IUPAC5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C(=O)N(C)Cc2cnn(C)c2)sc1Br
InChIInChI=1S/C12H14BrN3O2S/c1-15(6-8-5-14-16(2)7-8)12(17)10-4-9(18-3)11(13)19-10/h4-5,7H,6H2,1-3H3
InChIKeyZXIOJADCPGALBC-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.52
Rot. Bonds4

About 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 71908387) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID71908387
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C(=O)N(C)Cc2cnn(C)c2)sc1Br
InChIInChI=1S/C12H14BrN3O2S/c1-15(6-8-5-14-16(2)7-8)12(17)10-4-9(18-3)11(13)19-10/h4-5,7H,6H2,1-3H3
InChIKeyZXIOJADCPGALBC-UHFFFAOYSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 71908387) is 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is COc1cc(C(=O)N(C)Cc2cnn(C)c2)sc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZXIOJADCPGALBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-15(6-8-5-14-16(2)7-8)12(17)10-4-9(18-3)11(13)19-10/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 344.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71908387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).