[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate

C5H6N2O3S — CID 174998265

IUPAC[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate
SMILESNC(=O)Oc1csc(CO)n1
InChIInChI=1S/C5H6N2O3S/c6-5(9)10-3-2-11-4(1-8)7-3/h2,8H,1H2,(H2,6,9)
InChIKeyOHRMIYFPRXCLBK-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.09
Rot. Bonds2

About [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate

[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate (PubChem CID 174998265) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate
PubChem CID174998265
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate
SMILESNC(=O)Oc1csc(CO)n1
InChIInChI=1S/C5H6N2O3S/c6-5(9)10-3-2-11-4(1-8)7-3/h2,8H,1H2,(H2,6,9)
InChIKeyOHRMIYFPRXCLBK-UHFFFAOYSA-N
XLogP0.09
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate?
The IUPAC name of [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate (CID 174998265) is [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate.
What is the SMILES notation for [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate?
The canonical SMILES for [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate is NC(=O)Oc1csc(CO)n1.
What is the InChIKey of [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate?
The InChIKey is OHRMIYFPRXCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c6-5(9)10-3-2-11-4(1-8)7-3/h2,8H,1H2,(H2,6,9).
What are the key properties of [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate?
[2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate has a molecular weight of 174.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1,3-thiazol-4-yl] carbamate is sourced from PubChem (CID 174998265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).