tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate

C17H26N2O3S — CID 103724098

IUPACtert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nc(C)c(C(=O)CC2CCCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H26N2O3S/c1-11-15(23-12(2)18-11)14(20)10-13-8-6-7-9-19(13)16(21)22-17(3,4)5/h13H,6-10H2,1-5H3
InChIKeyVOXCXROEGRXJER-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.12
Rot. Bonds3

About tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 103724098) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID103724098
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nc(C)c(C(=O)CC2CCCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H26N2O3S/c1-11-15(23-12(2)18-11)14(20)10-13-8-6-7-9-19(13)16(21)22-17(3,4)5/h13H,6-10H2,1-5H3
InChIKeyVOXCXROEGRXJER-UHFFFAOYSA-N
XLogP4.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate
CID 71874177
tert-butyl N-methyl-N-[3-[(2-methyl-4,7-dioxo-1,3-benzothiazol-5-ylidene)amino]propyl]carbamate
CID 91380705
tert-Butyl 2-chloro-6-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433864
tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155164220
tert-butyl 4-(4-oxo-6,7-dihydro-5H-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 155667348
tert-butyl 4-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 155667351
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
CID 159478562
tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 175736625
Tert-butyl 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanoyl]piperidine-1-carboxylate
CID 177750563
1-(2,4-Dimethyl-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 10827261
Tert-butyl {1-[(2-methyl-4-propyl-1,3-thiazol-5-yl)carbonyl]piperidin-4-yl}carbamate
CID 71708240
tert-butyl N-[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)ethyl]-N-methylcarbamate
CID 75389514

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 103724098) is tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate is Cc1nc(C)c(C(=O)CC2CCCCN2C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is VOXCXROEGRXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11-15(23-12(2)18-11)14(20)10-13-8-6-7-9-19(13)16(21)22-17(3,4)5/h13H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 338.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103724098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).