2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H24N2O3S — CID 1427129

IUPAC2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1[C@@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1
InChIInChI=1S/C19H24N2O3S/c1-18(2)13-19(8-10-24-18,14-6-4-5-7-15(14)23-3)12-16(22)21-17-20-9-11-25-17/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1
InChIKeySYAXQOMRVZPBCF-LJQANCHMSA-N
MW360.48 g/mol
LogP4.01
Rot. Bonds5

About 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1427129) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1427129
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1[C@@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1
InChIInChI=1S/C19H24N2O3S/c1-18(2)13-19(8-10-24-18,14-6-4-5-7-15(14)23-3)12-16(22)21-17-20-9-11-25-17/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1
InChIKeySYAXQOMRVZPBCF-LJQANCHMSA-N
XLogP4.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
CID 919628
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 45143532
1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
CID 7087291
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 118766604
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 921733
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-[(2-methyloxolan-2-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 57235656
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86895877

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 1427129) is 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccccc1[C@@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1.
What is the InChIKey of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SYAXQOMRVZPBCF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-18(2)13-19(8-10-24-18,14-6-4-5-7-15(14)23-3)12-16(22)21-17-20-9-11-25-17/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,21,22)/t19-/m1/s1.
What are the key properties of 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1427129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).