tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone

C14H22N2O3S — CID 174721741

IUPACtert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1nccs1)C1CCCNC1
InChIInChI=1S/C9H12N2OS.C5H10O2/c12-8(9-11-4-5-13-9)7-2-1-3-10-6-7;1-5(2,3)7-4-6/h4-5,7,10H,1-3,6H2;4H,1-3H3
InChIKeyCRIAPVWMGDOYMF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone

tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone (PubChem CID 174721741) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Nametert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone
PubChem CID174721741
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone
SMILESCC(C)(C)OC=O.O=C(c1nccs1)C1CCCNC1
InChIInChI=1S/C9H12N2OS.C5H10O2/c12-8(9-11-4-5-13-9)7-2-1-3-10-6-7;1-5(2,3)7-4-6/h4-5,7,10H,1-3,6H2;4H,1-3H3
InChIKeyCRIAPVWMGDOYMF-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;piperidin-3-yl(pyridin-2-yl)methanone
CID 174588553
tert-butyl formate;piperidin-3-yl(pyridin-3-yl)methanone
CID 175290521
tert-butyl formate;piperidin-1-yl(1,3-thiazol-2-yl)methanone
CID 174721923
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
2-(piperidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645037
2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71644976
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
(6-bromo-3-pyridinyl)-piperidin-4-ylmethanone;tert-butyl formate
CID 175122441
tert-butyl formate;piperidine-3-carbonitrile
CID 174775296

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone?
The IUPAC name of tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone (CID 174721741) is tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone is CC(C)(C)OC=O.O=C(c1nccs1)C1CCCNC1.
What is the InChIKey of tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone?
The InChIKey is CRIAPVWMGDOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.C5H10O2/c12-8(9-11-4-5-13-9)7-2-1-3-10-6-7;1-5(2,3)7-4-6/h4-5,7,10H,1-3,6H2;4H,1-3H3.
What are the key properties of tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone?
tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 174721741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).