2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide

C11H11BrN2OS2 — CID 47293285

IUPAC2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C11H11BrN2OS2/c1-14(2)10(15)4-8-6-17-11(13-8)9-3-7(12)5-16-9/h3,5-6H,4H2,1-2H3
InChIKeyIPFHBVNEIZMHCH-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.26
Rot. Bonds3

About 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide (PubChem CID 47293285) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
PubChem CID47293285
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C11H11BrN2OS2/c1-14(2)10(15)4-8-6-17-11(13-8)9-3-7(12)5-16-9/h3,5-6H,4H2,1-2H3
InChIKeyIPFHBVNEIZMHCH-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide (CID 47293285) is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
The InChIKey is IPFHBVNEIZMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-14(2)10(15)4-8-6-17-11(13-8)9-3-7(12)5-16-9/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide?
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide has a molecular weight of 331.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 47293285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).