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

C10H15N3O3S — CID 25239137

IUPACtert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-6-7(14)13-8-11-4-5-17-8/h4-5H,6H2,1-3H3,(H,12,15)(H,11,13,14)
InChIKeyMRGBEMMYRJXTDM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.61
Rot. Bonds3

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

tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (PubChem CID 25239137) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
PubChem CID25239137
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nametert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-6-7(14)13-8-11-4-5-17-8/h4-5H,6H2,1-3H3,(H,12,15)(H,11,13,14)
InChIKeyMRGBEMMYRJXTDM-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(3-methoxypropyl)-N2-(thiazol-2-yl)oxalamide
CID 5061851
tert-butyl N-(1,3-thiazol-2-yl)carbamate
CID 11858898
2-Amino-N-(thiazol-2-yl)acetamide
CID 20558664
ethyl N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]carbamate
CID 155519423
2-(Dimethylamino)-N-2-thiazolylacetamide
CID 12562481
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]carbamate
CID 76333830
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
N1-cyclopropyl-N2-(thiazol-2-yl)oxalamide
CID 1635128
tert-butyl N-[(1S)-1-(2-methylpyrrolidin-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 24850403
tert-butyl N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]carbamate
CID 71580028
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
CID 76308464
N-(propan-2-yl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 1841217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate (CID 25239137) is tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
The InChIKey is MRGBEMMYRJXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-6-7(14)13-8-11-4-5-17-8/h4-5H,6H2,1-3H3,(H,12,15)(H,11,13,14).
What are the key properties of tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 25239137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).