ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C15H23N3O3S — CID 22197671

IUPACethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(C)CC2)nc1C
InChIInChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-7-5-10(2)6-8-18/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyXZLPWHVRQFXIIK-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.30
Rot. Bonds5

About ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 22197671) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID22197671
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(C)CC2)nc1C
InChIInChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-7-5-10(2)6-8-18/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyXZLPWHVRQFXIIK-UHFFFAOYSA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 22197671) is ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCC(C)CC2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XZLPWHVRQFXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-7-5-10(2)6-8-18/h10H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22197671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).