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

C20H27FN4O4S — CID 162650085

IUPAC4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OCCF)CC3)nc12
InChIInChI=1S/C20H27FN4O4S/c1-27-16-3-2-15(24-9-12-28-13-10-24)18-17(16)22-19(30-18)23-20(26)25-7-4-14(5-8-25)29-11-6-21/h2-3,14H,4-13H2,1H3,(H,22,23,26)
InChIKeyPGUJWGVKBUPWCI-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.12
Rot. Bonds6

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

4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 162650085) has the molecular formula C20H27FN4O4S and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID162650085
Molecular FormulaC20H27FN4O4S
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OCCF)CC3)nc12
InChIInChI=1S/C20H27FN4O4S/c1-27-16-3-2-15(24-9-12-28-13-10-24)18-17(16)22-19(30-18)23-20(26)25-7-4-14(5-8-25)29-11-6-21/h2-3,14H,4-13H2,1H3,(H,22,23,26)
InChIKeyPGUJWGVKBUPWCI-UHFFFAOYSA-N
XLogP3.12
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 162650085) is 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OCCF)CC3)nc12.
What is the InChIKey of 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PGUJWGVKBUPWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4S/c1-27-16-3-2-15(24-9-12-28-13-10-24)18-17(16)22-19(30-18)23-20(26)25-7-4-14(5-8-25)29-11-6-21/h2-3,14H,4-13H2,1H3,(H,22,23,26).
What are the key properties of 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162650085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).