2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C14H10Br2N2OS3 — CID 55929042

IUPAC2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H10Br2N2OS3/c1-18(5-9-2-3-12(16)22-9)14(19)10-7-21-13(17-10)11-4-8(15)6-20-11/h2-4,6-7H,5H2,1H3
InChIKeyAAOTZHKIYRAOMT-UHFFFAOYSA-N
MW478.26 g/mol
LogP5.73
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55929042) has the molecular formula C14H10Br2N2OS3 and a molecular weight of 478.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID55929042
Molecular FormulaC14H10Br2N2OS3
Molecular Weight478.26 g/mol
Exact Mass475.83
IUPAC Name2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H10Br2N2OS3/c1-18(5-9-2-3-12(16)22-9)14(19)10-7-21-13(17-10)11-4-8(15)6-20-11/h2-4,6-7H,5H2,1H3
InChIKeyAAOTZHKIYRAOMT-UHFFFAOYSA-N
XLogP5.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.26
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8530363
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119655809
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
ethyl 4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697872
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 55929042) is 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AAOTZHKIYRAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS3/c1-18(5-9-2-3-12(16)22-9)14(19)10-7-21-13(17-10)11-4-8(15)6-20-11/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 478.26 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).