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

C8H11ClN2O2S — CID 74788471

IUPACtert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)
InChIKeyRRRSEOPYCBAJKC-UHFFFAOYSA-N
MW234.71 g/mol
LogP3.14
Rot. Bonds1

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

tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate (PubChem CID 74788471) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate
PubChem CID74788471
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Nametert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(Cl)cs1
InChIInChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)
InChIKeyRRRSEOPYCBAJKC-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
tert-butyl N-(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamate
CID 72942157
tert-Butyl (4-bromo-1,3-thiazol-2-yl)carbamate
CID 45117837
tert-Butyl (4-(chloromethyl)thiazol-2-yl)carbamate
CID 45117840
tert-butyl N-(4-ethylsulfanyl-1,3-thiazol-2-yl)carbamate
CID 45117850
[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]sulfanylformic acid
CID 57219843
Tert-butyl 4-(methylthio)thiazol-2-ylcarbamate
CID 57571883
tert-Butyl (2-methylthiazol-4-yl)carbamate
CID 59858006
tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)carbamate
CID 72220352
tert-butyl N-(4-iodo-1,3-thiazol-2-yl)carbamate
CID 87573049
[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate
CID 91560802

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate (CID 74788471) is tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(Cl)cs1.
What is the InChIKey of tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate?
The InChIKey is RRRSEOPYCBAJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12).
What are the key properties of tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate has a molecular weight of 234.71 g/mol, XLogP of 3.14, 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-chloro-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 74788471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).