4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide

C19H17N3O3S — CID 1468097

IUPAC4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-13-17(18(24)21-14-8-4-2-5-9-14)26-19(20-13)22-16(23)12-25-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyWEQYSAYUKCUIJQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.72
Rot. Bonds6

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

4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 1468097) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID1468097
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-13-17(18(24)21-14-8-4-2-5-9-14)26-19(20-13)22-16(23)12-25-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyWEQYSAYUKCUIJQ-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 1468097) is 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WEQYSAYUKCUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13-17(18(24)21-14-8-4-2-5-9-14)26-19(20-13)22-16(23)12-25-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-phenoxyacetyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).