4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide

C10H8Br2N2OS2 — CID 51291417

IUPAC4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(CNC(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS2/c1-5-4-16-8(14-5)3-13-10(15)7-2-6(11)9(12)17-7/h2,4H,3H2,1H3,(H,13,15)
InChIKeyZDDRBEZDCKQMHE-UHFFFAOYSA-N
MW396.13 g/mol
LogP3.97
Rot. Bonds3

About 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 51291417) has the molecular formula C10H8Br2N2OS2 and a molecular weight of 396.13 g/mol. Its IUPAC name is 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID51291417
Molecular FormulaC10H8Br2N2OS2
Molecular Weight396.13 g/mol
Exact Mass393.84
IUPAC Name4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(CNC(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS2/c1-5-4-16-8(14-5)3-13-10(15)7-2-6(11)9(12)17-7/h2,4H,3H2,1H3,(H,13,15)
InChIKeyZDDRBEZDCKQMHE-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide (CID 51291417) is 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide is Cc1csc(CNC(=O)c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZDDRBEZDCKQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS2/c1-5-4-16-8(14-5)3-13-10(15)7-2-6(11)9(12)17-7/h2,4H,3H2,1H3,(H,13,15).
What are the key properties of 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 396.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 51291417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).