tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate

C9H14N2O2S — CID 67972333

IUPACtert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11(4)7-5-10-6-14-7/h5-6H,1-4H3
InChIKeyRVCHRPZAENCCGJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.51
Rot. Bonds1

About tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate

tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate (PubChem CID 67972333) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate
PubChem CID67972333
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11(4)7-5-10-6-14-7/h5-6H,1-4H3
InChIKeyRVCHRPZAENCCGJ-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate (CID 67972333) is tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate is CN(C(=O)OC(C)(C)C)c1cncs1.
What is the InChIKey of tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate?
The InChIKey is RVCHRPZAENCCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11(4)7-5-10-6-14-7/h5-6H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate?
tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 67972333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).