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

C17H26N2O3S — CID 103724099

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

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

tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 103724099) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID103724099
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nc(C(=O)CC2CCCCN2C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C17H26N2O3S/c1-11-15(18-12(2)23-11)14(20)10-13-8-6-7-9-19(13)16(21)22-17(3,4)5/h13H,6-10H2,1-5H3
InChIKeyPGCBXIMDQCSRRU-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-methyl-N-[3-[(2-methyl-4,7-dioxo-1,3-benzothiazol-5-ylidene)amino]propyl]carbamate
CID 91380705
tert-butyl 4-(4-oxo-6,7-dihydro-5H-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 155667348
tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 156711836
Tert-butyl 4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-oxopropanoyl]piperidine-1-carboxylate
CID 177750563
1-(2,5-Dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone
CID 79537354
1-[2-[2-(2-Methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
Tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724062
Tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724063
Tert-butyl 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 103724098
Tert-butyl 3-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856561
Tert-butyl 2-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 104865989
Tert-butyl 2-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 104892536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 103724099) is tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate is Cc1nc(C(=O)CC2CCCCN2C(=O)OC(C)(C)C)c(C)s1.
What is the InChIKey of tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is PGCBXIMDQCSRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11-15(18-12(2)23-11)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-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).