ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate

C18H21N3O3S — CID 39080805

IUPACethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(-c3ccncc3)nc2C)CC1
InChIInChI=1S/C18H21N3O3S/c1-3-24-18(23)14-6-10-21(11-7-14)17(22)15-12(2)20-16(25-15)13-4-8-19-9-5-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKeyOCHJTGRGOMGDRN-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 39080805) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID39080805
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Nameethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(-c3ccncc3)nc2C)CC1
InChIInChI=1S/C18H21N3O3S/c1-3-24-18(23)14-6-10-21(11-7-14)17(22)15-12(2)20-16(25-15)13-4-8-19-9-5-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3
InChIKeyOCHJTGRGOMGDRN-UHFFFAOYSA-N
XLogP2.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 38414533
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 69132107
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
ethyl 1-(5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylate
CID 134796666
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
[1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615487
ethyl 1-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylate
CID 42922757
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (CID 39080805) is ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2sc(-c3ccncc3)nc2C)CC1.
What is the InChIKey of ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is OCHJTGRGOMGDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-24-18(23)14-6-10-21(11-7-14)17(22)15-12(2)20-16(25-15)13-4-8-19-9-5-13/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 39080805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).