2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide

C11H10BrN3OS — CID 113373006

IUPAC2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(Nc1cccc(Br)c1)c1nccs1
InChIInChI=1S/C11H10BrN3OS/c12-7-2-1-3-8(6-7)15-9(10(13)16)11-14-4-5-17-11/h1-6,9,15H,(H2,13,16)
InChIKeyYINRXGZDSJULDS-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide

2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 113373006) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
PubChem CID113373006
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
SMILESNC(=O)C(Nc1cccc(Br)c1)c1nccs1
InChIInChI=1S/C11H10BrN3OS/c12-7-2-1-3-8(6-7)15-9(10(13)16)11-14-4-5-17-11/h1-6,9,15H,(H2,13,16)
InChIKeyYINRXGZDSJULDS-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61006544
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
2-(3-bromoanilino)-2-(2,4-dichlorophenyl)acetamide
CID 61005205
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
ethyl 2-(3-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102766001
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
CID 61005182
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
CID 113373016

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide (CID 113373006) is 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide is NC(=O)C(Nc1cccc(Br)c1)c1nccs1.
What is the InChIKey of 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YINRXGZDSJULDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c12-7-2-1-3-8(6-7)15-9(10(13)16)11-14-4-5-17-11/h1-6,9,15H,(H2,13,16).
What are the key properties of 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide?
2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 312.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 113373006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).