5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide

C20H21N3O2S — CID 134282228

IUPAC5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)s2)cccc1-c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-17(15-6-3-2-4-7-15)8-5-9-18(14)23-19(25)20-22-13-16(26-20)12-21-10-11-24/h2-9,13,21,24H,10-12H2,1H3,(H,23,25)
InChIKeyGIHXSFVMBMLDNE-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.45
Rot. Bonds7

About 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide

5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 134282228) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID134282228
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)s2)cccc1-c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-14-17(15-6-3-2-4-7-15)8-5-9-18(14)23-19(25)20-22-13-16(26-20)12-21-10-11-24/h2-9,13,21,24H,10-12H2,1H3,(H,23,25)
InChIKeyGIHXSFVMBMLDNE-UHFFFAOYSA-N
XLogP3.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide (CID 134282228) is 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2ncc(CNCCO)s2)cccc1-c1ccccc1.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GIHXSFVMBMLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-17(15-6-3-2-4-7-15)8-5-9-18(14)23-19(25)20-22-13-16(26-20)12-21-10-11-24/h2-9,13,21,24H,10-12H2,1H3,(H,23,25).
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134282228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).