4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide

C10H8Br2N2OS2 — CID 47402715

IUPAC4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H8Br2N2OS2/c1-14(3-6-4-16-5-13-6)10(15)8-2-7(11)9(12)17-8/h2,4-5H,3H2,1H3
InChIKeyHMWCNNXWZWTIIC-UHFFFAOYSA-N
MW396.13 g/mol
LogP4.00
Rot. Bonds3

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

4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 47402715) has the molecular formula C10H8Br2N2OS2 and a molecular weight of 396.13 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID47402715
Molecular FormulaC10H8Br2N2OS2
Molecular Weight396.13 g/mol
Exact Mass393.84
IUPAC Name4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H8Br2N2OS2/c1-14(3-6-4-16-5-13-6)10(15)8-2-7(11)9(12)17-8/h2,4-5H,3H2,1H3
InChIKeyHMWCNNXWZWTIIC-UHFFFAOYSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 38880738
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
4,5-dibromo-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19449890
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 55012421
4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 55012077

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide (CID 47402715) is 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide is CN(Cc1cscn1)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HMWCNNXWZWTIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS2/c1-14(3-6-4-16-5-13-6)10(15)8-2-7(11)9(12)17-8/h2,4-5H,3H2,1H3.
What are the key properties of 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 396.13 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47402715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).