tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate

C8H12N2O2S — CID 175778642

IUPACtert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate
SMILES[2H]c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)/i4D
InChIKeyNCJXQSNROJRSSL-QYKNYGDISA-N
MW201.27 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate (PubChem CID 175778642) has the molecular formula C8H12N2O2S and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate
PubChem CID175778642
Molecular FormulaC8H12N2O2S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Nametert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate
SMILES[2H]c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)/i4D
InChIKeyNCJXQSNROJRSSL-QYKNYGDISA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
CID 45117870
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid
CID 90270975
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
tert-butyl N-[4-[1-(hydroxyamino)-2-sulfanylideneethyl]-1,3-thiazol-2-yl]carbamate
CID 91224760
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate (CID 175778642) is tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate is [2H]c1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate?
The InChIKey is NCJXQSNROJRSSL-QYKNYGDISA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)/i4D.
What are the key properties of tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 175778642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).