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

C13H19N3O3S — CID 171703961

IUPACmethyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCc1nc(N)sc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H19N3O3S/c1-3-9-10(20-13(14)15-9)11(17)16-6-4-8(5-7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyOEUDYWDYRXCQMV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.31
Rot. Bonds3

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

methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 171703961) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID171703961
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Namemethyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
SMILESCCc1nc(N)sc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H19N3O3S/c1-3-9-10(20-13(14)15-9)11(17)16-6-4-8(5-7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyOEUDYWDYRXCQMV-UHFFFAOYSA-N
XLogP1.31
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
CID 62793582
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 95872962
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70776043
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72886103
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 56760017
methyl 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 43249788
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate (CID 171703961) is methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is CCc1nc(N)sc1C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is OEUDYWDYRXCQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-9-10(20-13(14)15-9)11(17)16-6-4-8(5-7-16)12(18)19-2/h8H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 171703961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).