tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate

C15H25N3O2S — CID 23131079

IUPACtert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESC/N=c1\scc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-10-21-13(16-4)17(12)5/h10-11H,6-9H2,1-5H3/b16-13-
InChIKeyJBDWIYMMGSQNPU-SSZFMOIBSA-N
MW311.45 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate

tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate (PubChem CID 23131079) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate
PubChem CID23131079
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESC/N=c1\scc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-10-21-13(16-4)17(12)5/h10-11H,6-9H2,1-5H3/b16-13-
InChIKeyJBDWIYMMGSQNPU-SSZFMOIBSA-N
XLogP2.73
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(3-methylimino-8-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,4-a]pyridin-7-yl)piperidine-1-carboxylate
CID 23130943
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
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CID 27281787
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 130131991
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
CID 123685463
tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
CID 178075956
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-(2-phenylpyrazol-3-yl)piperidine-1-carboxylate
CID 122643880

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate (CID 23131079) is tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate is C/N=c1\scc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C.
What is the InChIKey of tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The InChIKey is JBDWIYMMGSQNPU-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-10-21-13(16-4)17(12)5/h10-11H,6-9H2,1-5H3/b16-13-.
What are the key properties of tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23131079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).