2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C13H15N3O2S — CID 39194710

IUPAC2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(CCO)C(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-16(7-8-17)12(18)11-10(15-13(14)19-11)9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H2,14,15)
InChIKeyZLEULFZJQLGJMV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39194710) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39194710
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(CCO)C(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-16(7-8-17)12(18)11-10(15-13(14)19-11)9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H2,14,15)
InChIKeyZLEULFZJQLGJMV-UHFFFAOYSA-N
XLogP1.46
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 39194710) is 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide is CN(CCO)C(=O)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZLEULFZJQLGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(7-8-17)12(18)11-10(15-13(14)19-11)9-5-3-2-4-6-9/h2-6,17H,7-8H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).