methyl N-(1,3-thiazol-2-yl)carbamate

C5H6N2O2S — CID 686488

IUPACmethyl N-(1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nccs1
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)7-4-6-2-3-10-4/h2-3H,1H3,(H,6,7,8)
InChIKeyNAFBIYLNNXZOFN-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.32
Rot. Bonds1

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

methyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 686488) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is methyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID686488
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Namemethyl N-(1,3-thiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nccs1
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)7-4-6-2-3-10-4/h2-3H,1H3,(H,6,7,8)
InChIKeyNAFBIYLNNXZOFN-UHFFFAOYSA-N
XLogP1.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of methyl N-(1,3-thiazol-2-yl)carbamate (CID 686488) is methyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(1,3-thiazol-2-yl)carbamate is COC(=O)Nc1nccs1.
What is the InChIKey of methyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is NAFBIYLNNXZOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-9-5(8)7-4-6-2-3-10-4/h2-3H,1H3,(H,6,7,8).
What are the key properties of methyl N-(1,3-thiazol-2-yl)carbamate?
methyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 158.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 686488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).