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

C15H11BrN2OS2 — CID 55334183

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C15H11BrN2OS2/c16-11-4-1-3-10(7-11)13-9-21-15(17-13)18-14(19)8-12-5-2-6-20-12/h1-7,9H,8H2,(H,17,18,19)
InChIKeyBIFXEZAIQGDLTA-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.82
Rot. Bonds4

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 55334183) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID55334183
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C15H11BrN2OS2/c16-11-4-1-3-10(7-11)13-9-21-15(17-13)18-14(19)8-12-5-2-6-20-12/h1-7,9H,8H2,(H,17,18,19)
InChIKeyBIFXEZAIQGDLTA-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
methyl 4-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 30515195
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 55334183) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is BIFXEZAIQGDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c16-11-4-1-3-10(7-11)13-9-21-15(17-13)18-14(19)8-12-5-2-6-20-12/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 379.30 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55334183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).