N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide

C17H21N3O2S — CID 71856841

IUPACN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)8-14(17(22)18-3)20-16(21)13-6-4-12(5-7-13)15-9-23-10-19-15/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeySLIHMNZEFJIEMF-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.70
Rot. Bonds6

About N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide (PubChem CID 71856841) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
PubChem CID71856841
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(-c2cscn2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)8-14(17(22)18-3)20-16(21)13-6-4-12(5-7-13)15-9-23-10-19-15/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeySLIHMNZEFJIEMF-UHFFFAOYSA-N
XLogP2.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-3-carboxamide
CID 63860622
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[(S)-cyano-(2-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97051265
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide
CID 110002307
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95050918
1-N,4-N-bis[(2S)-4-methyl-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]benzene-1,4-dicarboxamide
CID 132534144
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 51093442

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide (CID 71856841) is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(-c2cscn2)cc1.
What is the InChIKey of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
The InChIKey is SLIHMNZEFJIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)8-14(17(22)18-3)20-16(21)13-6-4-12(5-7-13)15-9-23-10-19-15/h4-7,9-11,14H,8H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide?
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 71856841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).