1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one

C33H45NO5S2Si — CID 58042654

IUPAC1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1csc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)n1
InChIInChI=1S/C33H45NO5S2Si/c1-31(2,3)42(26-14-10-8-11-15-26,27-16-12-9-13-17-27)39-24-32(4,5)28-23-40-30(34-28)22-29(35)33(6,7)41(36,37)25-18-20-38-21-19-25/h8-17,23,25H,18-22,24H2,1-7H3
InChIKeyRWRLKCQUQZFAPC-UHFFFAOYSA-N
MW627.95 g/mol
LogP5.48
Rot. Bonds11

About 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one

1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one (PubChem CID 58042654) has the molecular formula C33H45NO5S2Si and a molecular weight of 627.95 g/mol. Its IUPAC name is 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one.

Molecular Properties

Compound Name1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one
PubChem CID58042654
Molecular FormulaC33H45NO5S2Si
Molecular Weight627.95 g/mol
Exact Mass627.25
IUPAC Name1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1csc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)n1
InChIInChI=1S/C33H45NO5S2Si/c1-31(2,3)42(26-14-10-8-11-15-26,27-16-12-9-13-17-27)39-24-32(4,5)28-23-40-30(34-28)22-29(35)33(6,7)41(36,37)25-18-20-38-21-19-25/h8-17,23,25H,18-22,24H2,1-7H3
InChIKeyRWRLKCQUQZFAPC-UHFFFAOYSA-N
XLogP5.48
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.95
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3,4-thiadiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one
CID 58042533
N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide
CID 59268006
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide
CID 69018519
1-(3-tert-butyl-1,2-oxazol-5-yl)-4-methyl-4-(oxan-4-ylsulfonyl)pentan-3-one
CID 158540248
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-propan-2-ylsulfonylbutan-2-one
CID 58287658
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
CID 156828780
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one?
The IUPAC name of 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one (CID 58042654) is 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one.
What is the SMILES notation for 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one?
The canonical SMILES for 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1csc(CC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)n1.
What is the InChIKey of 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one?
The InChIKey is RWRLKCQUQZFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO5S2Si/c1-31(2,3)42(26-14-10-8-11-15-26,27-16-12-9-13-17-27)39-24-32(4,5)28-23-40-30(34-28)22-29(35)33(6,7)41(36,37)25-18-20-38-21-19-25/h8-17,23,25H,18-22,24H2,1-7H3.
What are the key properties of 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one?
1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one has a molecular weight of 627.95 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,3-thiazol-2-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one is sourced from PubChem (CID 58042654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).