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

C15H23N3O3S — CID 22197814

IUPACethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCCCC2C)nc1C
InChIInChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-8-6-5-7-10(18)2/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyLSOAGMQOKVQSCO-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.44
Rot. Bonds5

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

ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 22197814) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID22197814
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCCCC2C)nc1C
InChIInChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-8-6-5-7-10(18)2/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyLSOAGMQOKVQSCO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
ethyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35760818
ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 27147641
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
ethyl 2-[[2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 22195981
ethyl 4-methyl-2-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 52902292
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 22197814) is ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCCCC2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LSOAGMQOKVQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-21-14(20)13-11(3)16-15(22-13)17-12(19)9-18-8-6-5-7-10(18)2/h10H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 2.44, 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-(2-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22197814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).