4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C16H18BrN3O2S — CID 3494615

IUPAC4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKeyGJGQOKOCPGTJHC-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.79
Rot. Bonds4

About 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 3494615) has the molecular formula C16H18BrN3O2S and a molecular weight of 396.31 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID3494615
Molecular FormulaC16H18BrN3O2S
Molecular Weight396.31 g/mol
Exact Mass395.03
IUPAC Name4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESCC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKeyGJGQOKOCPGTJHC-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4067037
N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3683934
(2S)-N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 7261059
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
N-butan-2-yl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3420321
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 5105483
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032
3-bromo-N-[3-(dimethylamino)propyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771443
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 4582238
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 3494615) is 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is CC(C)(C)N(CC(=O)Nc1nccs1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is GJGQOKOCPGTJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2S/c1-16(2,3)20(10-13(21)19-15-18-8-9-23-15)14(22)11-4-6-12(17)7-5-11/h4-9H,10H2,1-3H3,(H,18,19,21).
What are the key properties of 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 396.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 3494615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).