tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate

C16H23F2N3O4S — CID 172594760

IUPACtert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOCC(c1cnc(NC(=O)OC(C)(C)C)s1)N1CC(F)(F)CCC1=O
InChIInChI=1S/C16H23F2N3O4S/c1-15(2,3)25-14(23)20-13-19-7-11(26-13)10(8-24-4)21-9-16(17,18)6-5-12(21)22/h7,10H,5-6,8-9H2,1-4H3,(H,19,20,23)
InChIKeyQKRNRFMSLIWNEC-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 172594760) has the molecular formula C16H23F2N3O4S and a molecular weight of 391.44 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID172594760
Molecular FormulaC16H23F2N3O4S
Molecular Weight391.44 g/mol
Exact Mass391.14
IUPAC Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate
SMILESCOCC(c1cnc(NC(=O)OC(C)(C)C)s1)N1CC(F)(F)CCC1=O
InChIInChI=1S/C16H23F2N3O4S/c1-15(2,3)25-14(23)20-13-19-7-11(26-13)10(8-24-4)21-9-16(17,18)6-5-12(21)22/h7,10H,5-6,8-9H2,1-4H3,(H,19,20,23)
InChIKeyQKRNRFMSLIWNEC-UHFFFAOYSA-N
XLogP3.44
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-(3-bromo-1,2-dihydroxypropyl)-1,3-thiazol-2-yl]carbamate
CID 171860936
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[5-(1,2-dihydroxy-4-sulfanylbutyl)-1,3-thiazol-2-yl]carbamate
CID 171875046
ethyl 3,4-dihydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]butanoate
CID 171898336
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
tert-butyl N-[5-[(2,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-2-yl]carbamate
CID 139522190
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
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tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 174862620
tert-butyl N-[(1S)-1-cyclohexyl-2-[[5-[3-methoxy-1-[(4S)-2-(oxomethylidene)-4-(trifluoromethyl)imidazolidin-1-yl]propyl]-1,3-thiazol-2-yl]amino]-3-oxoprop-2-enyl]carbamate
CID 176533554
tert-butyl N-[5-[(1R,2S)-3-azido-2-chloro-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropyl]-1,3-thiazol-2-yl]carbamate
CID 11005280
tert-butyl N-[3-(2-acetamido-1,3-thiazol-5-yl)butyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate (CID 172594760) is tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate is COCC(c1cnc(NC(=O)OC(C)(C)C)s1)N1CC(F)(F)CCC1=O.
What is the InChIKey of tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is QKRNRFMSLIWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O4S/c1-15(2,3)25-14(23)20-13-19-7-11(26-13)10(8-24-4)21-9-16(17,18)6-5-12(21)22/h7,10H,5-6,8-9H2,1-4H3,(H,19,20,23).
What are the key properties of tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 391.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(5,5-difluoro-2-oxopiperidin-1-yl)-2-methoxyethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 172594760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).