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

C20H27FN4O4S — CID 162648898

IUPAC4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CCF)CC3)nc12
InChIInChI=1S/C20H27FN4O4S/c1-28-15-3-2-14(24-10-12-29-13-11-24)17-16(15)22-18(30-17)23-19(26)25-8-5-20(27,4-7-21)6-9-25/h2-3,27H,4-13H2,1H3,(H,22,23,26)
InChIKeySARLGQILBNHBNH-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.86
Rot. Bonds5

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

4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 162648898) has the molecular formula C20H27FN4O4S and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID162648898
Molecular FormulaC20H27FN4O4S
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(O)(CCF)CC3)nc12
InChIInChI=1S/C20H27FN4O4S/c1-28-15-3-2-14(24-10-12-29-13-11-24)17-16(15)22-18(30-17)23-19(26)25-8-5-20(27,4-7-21)6-9-25/h2-3,27H,4-13H2,1H3,(H,22,23,26)
InChIKeySARLGQILBNHBNH-UHFFFAOYSA-N
XLogP2.86
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tozadenant
CID 11618368
4-(diethylamino)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 132941757
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1,4-dimethylcyclohexane-1-carboxamide
CID 137636304
2-(2,6-difluorophenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 137644817
2-(3-fluorophenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 137654317
4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetamido)benzo[d]thiazol-2-yl)benzamide
CID 10126989
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 91077634
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 91215704
4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 91506978
1-(1,3-Benzothiazol-2-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 44534068
N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(morpholine-4-carbonyl)benzamide
CID 49797747
N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-(piperidine-1-carbonyl)benzamide
CID 49797748

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 162648898) is 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluoroethyl)-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)(CCF)CC3)nc12.
What is the InChIKey of 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is SARLGQILBNHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4S/c1-28-15-3-2-14(24-10-12-29-13-11-24)17-16(15)22-18(30-17)23-19(26)25-8-5-20(27,4-7-21)6-9-25/h2-3,27H,4-13H2,1H3,(H,22,23,26).
What are the key properties of 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-(2-fluoroethyl)-4-hydroxy-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 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162648898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).