N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide

C9H14N2O2S — CID 110027473

IUPACN-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1csnc1C
InChIInChI=1S/C9H14N2O2S/c1-3-11(4-5-12)9(13)8-6-14-10-7(8)2/h6,12H,3-5H2,1-2H3
InChIKeyBZEPIXSLWWKNPW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.91
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 110027473) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID110027473
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1csnc1C
InChIInChI=1S/C9H14N2O2S/c1-3-11(4-5-12)9(13)8-6-14-10-7(8)2/h6,12H,3-5H2,1-2H3
InChIKeyBZEPIXSLWWKNPW-UHFFFAOYSA-N
XLogP0.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 110027473) is N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide is CCN(CCO)C(=O)c1csnc1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is BZEPIXSLWWKNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-11(4-5-12)9(13)8-6-14-10-7(8)2/h6,12H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 110027473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).