ethyl(1,3-thiazol-5-ylmethyl)carbamic acid

C7H10N2O2S — CID 70246505

IUPACethyl(1,3-thiazol-5-ylmethyl)carbamic acid
SMILESCCN(Cc1cncs1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-9(7(10)11)4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyQAMOLPKVWKYZIU-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.64
Rot. Bonds3

About ethyl(1,3-thiazol-5-ylmethyl)carbamic acid

ethyl(1,3-thiazol-5-ylmethyl)carbamic acid (PubChem CID 70246505) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl(1,3-thiazol-5-ylmethyl)carbamic acid.

Molecular Properties

Compound Nameethyl(1,3-thiazol-5-ylmethyl)carbamic acid
PubChem CID70246505
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl(1,3-thiazol-5-ylmethyl)carbamic acid
SMILESCCN(Cc1cncs1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-9(7(10)11)4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyQAMOLPKVWKYZIU-UHFFFAOYSA-N
XLogP1.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl(1,3-thiazol-5-ylmethyl)carbamic acid?
The IUPAC name of ethyl(1,3-thiazol-5-ylmethyl)carbamic acid (CID 70246505) is ethyl(1,3-thiazol-5-ylmethyl)carbamic acid.
What is the SMILES notation for ethyl(1,3-thiazol-5-ylmethyl)carbamic acid?
The canonical SMILES for ethyl(1,3-thiazol-5-ylmethyl)carbamic acid is CCN(Cc1cncs1)C(=O)O.
What is the InChIKey of ethyl(1,3-thiazol-5-ylmethyl)carbamic acid?
The InChIKey is QAMOLPKVWKYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-9(7(10)11)4-6-3-8-5-12-6/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of ethyl(1,3-thiazol-5-ylmethyl)carbamic acid?
ethyl(1,3-thiazol-5-ylmethyl)carbamic acid has a molecular weight of 186.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,3-thiazol-5-ylmethyl)carbamic acid is sourced from PubChem (CID 70246505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).