methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate

C7H10N2O3S — CID 14962249

IUPACmethyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCO)cs1
InChIInChI=1S/C7H10N2O3S/c1-12-7(11)9-6-8-5(2-3-10)4-13-6/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyHFIURZQVCYSCLA-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.86
Rot. Bonds3

About methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate

methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 14962249) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID14962249
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Namemethyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCO)cs1
InChIInChI=1S/C7H10N2O3S/c1-12-7(11)9-6-8-5(2-3-10)4-13-6/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyHFIURZQVCYSCLA-UHFFFAOYSA-N
XLogP0.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate (CID 14962249) is methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CCO)cs1.
What is the InChIKey of methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is HFIURZQVCYSCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-12-7(11)9-6-8-5(2-3-10)4-13-6/h4,10H,2-3H2,1H3,(H,8,9,11).
What are the key properties of methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 202.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 14962249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).