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

C18H23FN4O3S — CID 162665420

IUPAC3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCC(F)C3)nc12
InChIInChI=1S/C18H23FN4O3S/c1-25-14-5-4-13(22-7-9-26-10-8-22)16-15(14)20-17(27-16)21-18(24)23-6-2-3-12(19)11-23/h4-5,12H,2-3,6-11H2,1H3,(H,20,21,24)
InChIKeyKLQJTRVIMNGXNY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.11
Rot. Bonds3

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

3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 162665420) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID162665420
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCC(F)C3)nc12
InChIInChI=1S/C18H23FN4O3S/c1-25-14-5-4-13(22-7-9-26-10-8-22)16-15(14)20-17(27-16)21-18(24)23-6-2-3-12(19)11-23/h4-5,12H,2-3,6-11H2,1H3,(H,20,21,24)
InChIKeyKLQJTRVIMNGXNY-UHFFFAOYSA-N
XLogP3.11
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 162665420) is 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCCC(F)C3)nc12.
What is the InChIKey of 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KLQJTRVIMNGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-25-14-5-4-13(22-7-9-26-10-8-22)16-15(14)20-17(27-16)21-18(24)23-6-2-3-12(19)11-23/h4-5,12H,2-3,6-11H2,1H3,(H,20,21,24).
What are the key properties of 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162665420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).