4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C19H25FN4O4S — CID 162647482

IUPAC4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C19H25FN4O4S/c1-27-14-3-2-13(23-8-10-28-11-9-23)16-15(14)21-17(29-16)22-18(25)24-6-4-19(26,12-20)5-7-24/h2-3,26H,4-12H2,1H3,(H,21,22,25)
InChIKeyMVLSLPSPDRUARX-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.47
Rot. Bonds4

About 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 162647482) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID162647482
Molecular FormulaC19H25FN4O4S
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C19H25FN4O4S/c1-27-14-3-2-13(23-8-10-28-11-9-23)16-15(14)21-17(29-16)22-18(25)24-6-4-19(26,12-20)5-7-24/h2-3,26H,4-12H2,1H3,(H,21,22,25)
InChIKeyMVLSLPSPDRUARX-UHFFFAOYSA-N
XLogP2.47
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 162647482) is 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is MVLSLPSPDRUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c1-27-14-3-2-13(23-8-10-28-11-9-23)16-15(14)21-17(29-16)22-18(25)24-6-4-19(26,12-20)5-7-24/h2-3,26H,4-12H2,1H3,(H,21,22,25).
What are the key properties of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162647482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).