4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide

C10H14Br2N2OS — CID 112726725

IUPAC4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1cc(Br)c(Br)s1)N(C)C
InChIInChI=1S/C10H14Br2N2OS/c1-6(14(2)3)5-13-10(15)8-4-7(11)9(12)16-8/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyZXTWDUYSOXXXEO-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.95
Rot. Bonds4

About 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide

4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide (PubChem CID 112726725) has the molecular formula C10H14Br2N2OS and a molecular weight of 370.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide
PubChem CID112726725
Molecular FormulaC10H14Br2N2OS
Molecular Weight370.11 g/mol
Exact Mass367.92
IUPAC Name4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1cc(Br)c(Br)s1)N(C)C
InChIInChI=1S/C10H14Br2N2OS/c1-6(14(2)3)5-13-10(15)8-4-7(11)9(12)16-8/h4,6H,5H2,1-3H3,(H,13,15)
InChIKeyZXTWDUYSOXXXEO-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide (CID 112726725) is 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide is CC(CNC(=O)c1cc(Br)c(Br)s1)N(C)C.
What is the InChIKey of 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide?
The InChIKey is ZXTWDUYSOXXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2OS/c1-6(14(2)3)5-13-10(15)8-4-7(11)9(12)16-8/h4,6H,5H2,1-3H3,(H,13,15).
What are the key properties of 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide?
4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide has a molecular weight of 370.11 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 112726725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).