tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate

C10H14N2O3S — CID 165467941

IUPACtert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cnsc1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-5-8(13)7-4-12-16-6-7/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyNVJJMQTTYQTHKC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate

tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate (PubChem CID 165467941) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
PubChem CID165467941
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nametert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cnsc1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-5-8(13)7-4-12-16-6-7/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyNVJJMQTTYQTHKC-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate
CID 165465123
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
CID 138987299
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
CID 165464788
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
CID 154575082
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]thiophene-2-carboxylate
CID 158312026
tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
CID 71146356
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate (CID 165467941) is tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1cnsc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate?
The InChIKey is NVJJMQTTYQTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-5-8(13)7-4-12-16-6-7/h4,6H,5H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate has a molecular weight of 242.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 165467941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).