ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate

C17H20N2O3S — CID 903104

IUPACethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(4)18-17(23-14)19-15(20)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyVQFCJGMDPFWWJK-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.00
Rot. Bonds5

About ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 903104) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID903104
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Nameethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(4)18-17(23-14)19-15(20)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyVQFCJGMDPFWWJK-UHFFFAOYSA-N
XLogP4.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 903104) is ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VQFCJGMDPFWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(4)18-17(23-14)19-15(20)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 903104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).