N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C12H14Br2N4OS — CID 143734484

IUPACN-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCC(CN)NC(=O)c1sc(-c2ccnn2C)c(Br)c1Br
InChIInChI=1S/C12H14Br2N4OS/c1-6(5-15)17-12(19)11-9(14)8(13)10(20-11)7-3-4-16-18(7)2/h3-4,6H,5,15H2,1-2H3,(H,17,19)
InChIKeyGGVZTBCSYFQZJG-UHFFFAOYSA-N
MW422.15 g/mol
LogP2.75
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 143734484) has the molecular formula C12H14Br2N4OS and a molecular weight of 422.15 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID143734484
Molecular FormulaC12H14Br2N4OS
Molecular Weight422.15 g/mol
Exact Mass419.93
IUPAC NameN-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCC(CN)NC(=O)c1sc(-c2ccnn2C)c(Br)c1Br
InChIInChI=1S/C12H14Br2N4OS/c1-6(5-15)17-12(19)11-9(14)8(13)10(20-11)7-3-4-16-18(7)2/h3-4,6H,5,15H2,1-2H3,(H,17,19)
InChIKeyGGVZTBCSYFQZJG-UHFFFAOYSA-N
XLogP2.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.15
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 143734484) is N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is CC(CN)NC(=O)c1sc(-c2ccnn2C)c(Br)c1Br.
What is the InChIKey of N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is GGVZTBCSYFQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4OS/c1-6(5-15)17-12(19)11-9(14)8(13)10(20-11)7-3-4-16-18(7)2/h3-4,6H,5,15H2,1-2H3,(H,17,19).
What are the key properties of N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 422.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3,4-dibromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 143734484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).