tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

C16H25N3O4S — CID 86660504

IUPACtert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCON(C)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)23-15(21)19-8-6-11(7-9-19)13-17-12(10-24-13)14(20)18(4)22-5/h10-11H,6-9H2,1-5H3
InChIKeyRXVGEVQQRXOXKP-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 86660504) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID86660504
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nametert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCON(C)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)23-15(21)19-8-6-11(7-9-19)13-17-12(10-24-13)14(20)18(4)22-5/h10-11H,6-9H2,1-5H3
InChIKeyRXVGEVQQRXOXKP-UHFFFAOYSA-N
XLogP2.89
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 86660504) is tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is CON(C)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is RXVGEVQQRXOXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-16(2,3)23-15(21)19-8-6-11(7-9-19)13-17-12(10-24-13)14(20)18(4)22-5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 86660504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).