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

C14H25N3O2S — CID 174961308

IUPACtert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)OC=O.NCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H15N3S.C5H10O2/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7;1-5(2,3)7-4-6/h6-7,11H,1-5,10H2;4H,1-3H3
InChIKeyYKUSOTKBGHWBDF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.03
Rot. Bonds3

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

tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 174961308) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Nametert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine
PubChem CID174961308
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nametert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)(C)OC=O.NCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H15N3S.C5H10O2/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7;1-5(2,3)7-4-6/h6-7,11H,1-5,10H2;4H,1-3H3
InChIKeyYKUSOTKBGHWBDF-UHFFFAOYSA-N
XLogP2.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.03
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)methanamine?
The IUPAC name of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine (CID 174961308) is tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine is CC(C)(C)OC=O.NCc1cnc(C2CCNCC2)s1.
What is the InChIKey of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is YKUSOTKBGHWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.C5H10O2/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7;1-5(2,3)7-4-6/h6-7,11H,1-5,10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine?
tert-butyl formate;(2-piperidin-4-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 299.44 g/mol, XLogP of 2.03, 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)methanamine is sourced from PubChem (CID 174961308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).