tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

C16H17F2N3O3S — CID 146468890

IUPACtert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1nccs1)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2N3O3S/c1-16(2,3)24-15(23)20-12(10-8-9(17)4-5-11(10)18)13(22)21-14-19-6-7-25-14/h4-8,12H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeySXZDTSHAGRTXET-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate

tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (PubChem CID 146468890) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
PubChem CID146468890
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Nametert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1nccs1)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2N3O3S/c1-16(2,3)24-15(23)20-12(10-8-9(17)4-5-11(10)18)13(22)21-14-19-6-7-25-14/h4-8,12H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeySXZDTSHAGRTXET-UHFFFAOYSA-N
XLogP3.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175993315
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamate
CID 58180376
tert-butyl N-[1-(5-bromo-2-fluorophenyl)-2-oxopropyl]carbamate
CID 66631756
2-(5-fluoro-2-hydroxyphenyl)-2-[(2-iodophenyl)methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 170794718
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
tert-butyl N-[5-(methoxyamino)-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]carbamate
CID 57081685
2-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 103820796

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (CID 146468890) is tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NC(C(=O)Nc1nccs1)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The InChIKey is SXZDTSHAGRTXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-16(2,3)24-15(23)20-12(10-8-9(17)4-5-11(10)18)13(22)21-14-19-6-7-25-14/h4-8,12H,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate has a molecular weight of 369.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,5-difluorophenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 146468890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).