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

C17H21N3O2S — CID 134058671

IUPACN-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CN(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N3O2S/c1-12(2)10-20(3)15(21)9-14-11-23-17(18-14)19-16(22)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,22)
InChIKeyLHXWUYRRSCVBNT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.05
Rot. Bonds6

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

N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 134058671) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID134058671
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CN(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H21N3O2S/c1-12(2)10-20(3)15(21)9-14-11-23-17(18-14)19-16(22)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,22)
InChIKeyLHXWUYRRSCVBNT-UHFFFAOYSA-N
XLogP3.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55896812
N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 31832978
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736093
N-[4-[2-[[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 34934455
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51185034
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 39155108

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 134058671) is N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CC(C)CN(C)C(=O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LHXWUYRRSCVBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)10-20(3)15(21)9-14-11-23-17(18-14)19-16(22)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,18,19,22).
What are the key properties of N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 134058671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).