2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

C16H20N4O3S — CID 11244981

IUPAC2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NCCOC)s2)c1
InChIInChI=1S/C16H20N4O3S/c1-10-4-5-11(14(21)17-2)8-12(10)20-15(22)13-9-19-16(24-13)18-6-7-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyKDLHBWKPZPMEHM-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 11244981) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID11244981
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NCCOC)s2)c1
InChIInChI=1S/C16H20N4O3S/c1-10-4-5-11(14(21)17-2)8-12(10)20-15(22)13-9-19-16(24-13)18-6-7-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyKDLHBWKPZPMEHM-UHFFFAOYSA-N
XLogP2.12
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 11244981) is 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NCCOC)s2)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KDLHBWKPZPMEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-4-5-11(14(21)17-2)8-12(10)20-15(22)13-9-19-16(24-13)18-6-7-23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11244981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).