propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

C9H14N2O2S — CID 116654706

IUPACpropan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-5(2)13-9(12)11-8-10-6(3)7(4)14-8/h5H,1-4H3,(H,10,11,12)
InChIKeyXUGBBYOYGKQVRV-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.72
Rot. Bonds2

About propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (PubChem CID 116654706) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
PubChem CID116654706
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namepropan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-5(2)13-9(12)11-8-10-6(3)7(4)14-8/h5H,1-4H3,(H,10,11,12)
InChIKeyXUGBBYOYGKQVRV-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (CID 116654706) is propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)OC(C)C)sc1C.
What is the InChIKey of propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is XUGBBYOYGKQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(2)13-9(12)11-8-10-6(3)7(4)14-8/h5H,1-4H3,(H,10,11,12).
What are the key properties of propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 116654706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).