methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate

C13H21N3O2S — CID 80571032

IUPACmethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
SMILESCCN1CCC(N(C)c2ncc(C(=O)OC)s2)CC1
InChIInChI=1S/C13H21N3O2S/c1-4-16-7-5-10(6-8-16)15(2)13-14-9-11(19-13)12(17)18-3/h9-10H,4-8H2,1-3H3
InChIKeyFVTCRJRJTSRYFF-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate

methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 80571032) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
PubChem CID80571032
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
SMILESCCN1CCC(N(C)c2ncc(C(=O)OC)s2)CC1
InChIInChI=1S/C13H21N3O2S/c1-4-16-7-5-10(6-8-16)15(2)13-14-9-11(19-13)12(17)18-3/h9-10H,4-8H2,1-3H3
InChIKeyFVTCRJRJTSRYFF-UHFFFAOYSA-N
XLogP1.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 80571148
N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62754452
methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 80572769
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
methyl 3-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040183
methyl 2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80572816
4-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylic acid
CID 80687645
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571139
2-[(1-ethylpiperidin-4-yl)-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396706
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
methyl 2-[cyclopropyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]-1,3-thiazole-5-carboxylate
CID 166214626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate (CID 80571032) is methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate is CCN1CCC(N(C)c2ncc(C(=O)OC)s2)CC1.
What is the InChIKey of methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is FVTCRJRJTSRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-16-7-5-10(6-8-16)15(2)13-14-9-11(19-13)12(17)18-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate?
methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).