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

C14H11BrN2OS3 — CID 8530363

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H11BrN2OS3/c1-17(6-10-2-3-12(15)21-10)14(18)11-8-20-13(16-11)9-4-5-19-7-9/h2-5,7-8H,6H2,1H3
InChIKeyUEZIKBAFAKHOOG-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.97
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 8530363) has the molecular formula C14H11BrN2OS3 and a molecular weight of 399.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID8530363
Molecular FormulaC14H11BrN2OS3
Molecular Weight399.36 g/mol
Exact Mass397.92
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H11BrN2OS3/c1-17(6-10-2-3-12(15)21-10)14(18)11-8-20-13(16-11)9-4-5-19-7-9/h2-5,7-8H,6H2,1H3
InChIKeyUEZIKBAFAKHOOG-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55929042
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38226165
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18090221
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 8530363) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UEZIKBAFAKHOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS3/c1-17(6-10-2-3-12(15)21-10)14(18)11-8-20-13(16-11)9-4-5-19-7-9/h2-5,7-8H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 399.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 8530363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).