N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

C21H22N2O2S — CID 6552731

IUPACN-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-4-14(2)15-9-11-16(12-10-15)18-13-26-21(22-18)23-20(24)17-7-5-6-8-19(17)25-3/h5-14H,4H2,1-3H3,(H,22,23,24)/t14-/m1/s1
InChIKeyVTOBSCOKMGDEHY-CQSZACIVSA-N
MW366.49 g/mol
LogP5.58
Rot. Bonds6

About N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide

N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 6552731) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID6552731
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-4-14(2)15-9-11-16(12-10-15)18-13-26-21(22-18)23-20(24)17-7-5-6-8-19(17)25-3/h5-14H,4H2,1-3H3,(H,22,23,24)/t14-/m1/s1
InChIKeyVTOBSCOKMGDEHY-CQSZACIVSA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 6552731) is N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1.
What is the InChIKey of N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is VTOBSCOKMGDEHY-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-4-14(2)15-9-11-16(12-10-15)18-13-26-21(22-18)23-20(24)17-7-5-6-8-19(17)25-3/h5-14H,4H2,1-3H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 366.49 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 6552731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).