ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate

C18H18N4O4S — CID 71827680

IUPACethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc1C
InChIInChI=1S/C18H18N4O4S/c1-4-26-17(25)14-10(2)20-18(27-14)21-15(23)11(3)22-9-19-13-8-6-5-7-12(13)16(22)24/h5-9,11H,4H2,1-3H3,(H,20,21,23)/t11-/m1/s1
InChIKeyFEXIQNYJJQSVKY-LLVKDONJSA-N
MW386.43 g/mol
LogP2.54
Rot. Bonds5

About ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 71827680) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID71827680
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Nameethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc1C
InChIInChI=1S/C18H18N4O4S/c1-4-26-17(25)14-10(2)20-18(27-14)21-15(23)11(3)22-9-19-13-8-6-5-7-12(13)16(22)24/h5-9,11H,4H2,1-3H3,(H,20,21,23)/t11-/m1/s1
InChIKeyFEXIQNYJJQSVKY-LLVKDONJSA-N
XLogP2.54
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate (CID 71827680) is ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is FEXIQNYJJQSVKY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-4-26-17(25)14-10(2)20-18(27-14)21-15(23)11(3)22-9-19-13-8-6-5-7-12(13)16(22)24/h5-9,11H,4H2,1-3H3,(H,20,21,23)/t11-/m1/s1.
What are the key properties of ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71827680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).