4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C17H20BrN3O2S — CID 4186691

IUPAC4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O2S/c1-4-11(2)21(16(23)13-5-7-14(18)8-6-13)10-15(22)20-17-19-9-12(3)24-17/h5-9,11H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyLFNCUBXGXUKXBC-UHFFFAOYSA-N
MW410.34 g/mol
LogP4.09
Rot. Bonds6

About 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4186691) has the molecular formula C17H20BrN3O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID4186691
Molecular FormulaC17H20BrN3O2S
Molecular Weight410.34 g/mol
Exact Mass409.05
IUPAC Name4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O2S/c1-4-11(2)21(16(23)13-5-7-14(18)8-6-13)10-15(22)20-17-19-9-12(3)24-17/h5-9,11H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyLFNCUBXGXUKXBC-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-butan-2-yl-4-hexyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
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2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
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CID 3420321
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952
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CID 47366040
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N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 4186691) is 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is CCC(C)N(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is LFNCUBXGXUKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2S/c1-4-11(2)21(16(23)13-5-7-14(18)8-6-13)10-15(22)20-17-19-9-12(3)24-17/h5-9,11H,4,10H2,1-3H3,(H,19,20,22).
What are the key properties of 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 410.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).