2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C16H19N3O3S — CID 832001

IUPAC2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C16H19N3O3S/c1-5-22-12-9-7-6-8-11(12)14(20)18-16-17-10(2)13(23-16)15(21)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyOOMIKGNRTURUCF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.80
Rot. Bonds5

About 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 832001) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID832001
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C16H19N3O3S/c1-5-22-12-9-7-6-8-11(12)14(20)18-16-17-10(2)13(23-16)15(21)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyOOMIKGNRTURUCF-UHFFFAOYSA-N
XLogP2.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 832001) is 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is CCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OOMIKGNRTURUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-5-22-12-9-7-6-8-11(12)14(20)18-16-17-10(2)13(23-16)15(21)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20).
What are the key properties of 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 832001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).