N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide

C11H8BrClN2OS — CID 121223968

IUPACN-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(Br)sc1-c1ccccc1Cl
InChIInChI=1S/C11H8BrClN2OS/c1-6(16)14-10-9(17-11(12)15-10)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,14,16)
InChIKeyLPGVGMDSDZQZOL-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.18
Rot. Bonds2

About N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide

N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 121223968) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID121223968
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC NameN-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(Br)sc1-c1ccccc1Cl
InChIInChI=1S/C11H8BrClN2OS/c1-6(16)14-10-9(17-11(12)15-10)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,14,16)
InChIKeyLPGVGMDSDZQZOL-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-bromo-5-(2-chlorophenyl)-1-phenylimidazol-4-yl]acetamide
CID 134910185
N-[4-(2-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 158160308
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613
5-(2-chlorophenyl)-2-methyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 71709641
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
1-[4-(2-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647334

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 121223968) is N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1nc(Br)sc1-c1ccccc1Cl.
What is the InChIKey of N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LPGVGMDSDZQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c1-6(16)14-10-9(17-11(12)15-10)7-4-2-3-5-8(7)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 331.62 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 121223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).