1,3-thiazol-2-yl carbamate

C4H4N2O2S — CID 22352149

IUPAC1,3-thiazol-2-yl carbamate
SMILESNC(=O)Oc1nccs1
InChIInChI=1S/C4H4N2O2S/c5-3(7)8-4-6-1-2-9-4/h1-2H,(H2,5,7)
InChIKeyXGRVLQIKNNADIW-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.60
Rot. Bonds1

About 1,3-thiazol-2-yl carbamate

1,3-thiazol-2-yl carbamate (PubChem CID 22352149) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,3-thiazol-2-yl carbamate.

Molecular Properties

Compound Name1,3-thiazol-2-yl carbamate
PubChem CID22352149
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name1,3-thiazol-2-yl carbamate
SMILESNC(=O)Oc1nccs1
InChIInChI=1S/C4H4N2O2S/c5-3(7)8-4-6-1-2-9-4/h1-2H,(H2,5,7)
InChIKeyXGRVLQIKNNADIW-UHFFFAOYSA-N
XLogP0.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl carbamate?
The IUPAC name of 1,3-thiazol-2-yl carbamate (CID 22352149) is 1,3-thiazol-2-yl carbamate.
What is the SMILES notation for 1,3-thiazol-2-yl carbamate?
The canonical SMILES for 1,3-thiazol-2-yl carbamate is NC(=O)Oc1nccs1.
What is the InChIKey of 1,3-thiazol-2-yl carbamate?
The InChIKey is XGRVLQIKNNADIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c5-3(7)8-4-6-1-2-9-4/h1-2H,(H2,5,7).
What are the key properties of 1,3-thiazol-2-yl carbamate?
1,3-thiazol-2-yl carbamate has a molecular weight of 144.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl carbamate is sourced from PubChem (CID 22352149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).