tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol

C14H24N2O3S — CID 174960697

IUPACtert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)OC=O.OCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H14N2OS.C5H10O2/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7;1-5(2,3)7-4-6/h5,7,10,12H,1-4,6H2;4H,1-3H3
InChIKeyBLSHLVPBEVNMQO-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol

tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol (PubChem CID 174960697) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Nametert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
PubChem CID174960697
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Nametert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)OC=O.OCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H14N2OS.C5H10O2/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7;1-5(2,3)7-4-6/h5,7,10,12H,1-4,6H2;4H,1-3H3
InChIKeyBLSHLVPBEVNMQO-UHFFFAOYSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol (CID 174960697) is tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol is CC(C)(C)OC=O.OCc1cnc(C2CCNCC2)s1.
What is the InChIKey of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is BLSHLVPBEVNMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.C5H10O2/c12-6-8-5-11-9(13-8)7-1-3-10-4-2-7;1-5(2,3)7-4-6/h5,7,10,12H,1-4,6H2;4H,1-3H3.
What are the key properties of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol?
tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 300.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 174960697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).