(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate

C6H8N2O2S — CID 130009719

IUPAC(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)sn1
InChIInChI=1S/C6H8N2O2S/c1-4-3-5(8-11-4)10-6(9)7-2/h3H,1-2H3,(H,7,9)
InChIKeyOQCQHYBCZIAUJG-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.17
Rot. Bonds1

About (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate

(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate (PubChem CID 130009719) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate.

Molecular Properties

Compound Name(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate
PubChem CID130009719
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)sn1
InChIInChI=1S/C6H8N2O2S/c1-4-3-5(8-11-4)10-6(9)7-2/h3H,1-2H3,(H,7,9)
InChIKeyOQCQHYBCZIAUJG-UHFFFAOYSA-N
XLogP1.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate?
The IUPAC name of (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate (CID 130009719) is (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate.
What is the SMILES notation for (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate?
The canonical SMILES for (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate is CNC(=O)Oc1cc(C)sn1.
What is the InChIKey of (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate?
The InChIKey is OQCQHYBCZIAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4-3-5(8-11-4)10-6(9)7-2/h3H,1-2H3,(H,7,9).
What are the key properties of (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate?
(5-methyl-1,2-thiazol-3-yl) N-methylcarbamate has a molecular weight of 172.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-thiazol-3-yl) N-methylcarbamate is sourced from PubChem (CID 130009719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).