N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide

C16H20N2O2S — CID 121094276

IUPACN-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCCC(C)NC(=O)c1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-11(2)18-16(19)13-5-7-14(8-6-13)20-9-15-17-12(3)10-21-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)
InChIKeyQGWNTRZRAXNUHW-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.56
Rot. Bonds6

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

N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 121094276) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
PubChem CID121094276
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCCC(C)NC(=O)c1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-11(2)18-16(19)13-5-7-14(8-6-13)20-9-15-17-12(3)10-21-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,19)
InChIKeyQGWNTRZRAXNUHW-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
N-[(2S)-butan-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158727
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The IUPAC name of N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 121094276) is N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is CCC(C)NC(=O)c1ccc(OCc2nc(C)cs2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The InChIKey is QGWNTRZRAXNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-11(2)18-16(19)13-5-7-14(8-6-13)20-9-15-17-12(3)10-21-15/h5-8,10-11H,4,9H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 304.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 121094276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).