N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide

C13H13BrN2OS — CID 22433333

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H13BrN2OS/c1-3-16(9(2)17)13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3
InChIKeyABLXWEFDBZFRQM-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.95
Rot. Bonds3

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 22433333) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID22433333
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H13BrN2OS/c1-3-16(9(2)17)13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3
InChIKeyABLXWEFDBZFRQM-UHFFFAOYSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 990823
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CID 720656
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CID 838339
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CID 2900985
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CID 778223
CID 778223
CID 620683
CID 620683
CID 991000
CID 991000
CID 2926693
CID 2926693
CID 9551820
CID 9551820
CID 2787880
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CID 4916649
CID 4916649
CID 46907737
CID 46907737

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide (CID 22433333) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is ABLXWEFDBZFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-3-16(9(2)17)13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 325.23 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 22433333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).