4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide

C20H21FN4O3S — CID 142524472

IUPAC4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C20H21FN4O3S/c1-28-17-15-16(14(11-22-17)13-5-3-2-4-6-13)29-18(23-15)24-19(26)25-9-7-20(27,12-21)8-10-25/h2-6,11,27H,7-10,12H2,1H3,(H,23,24,26)
InChIKeyDXHVPKDWYNYPAR-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.70
Rot. Bonds4

About 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide

4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 142524472) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID142524472
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C20H21FN4O3S/c1-28-17-15-16(14(11-22-17)13-5-3-2-4-6-13)29-18(23-15)24-19(26)25-9-7-20(27,12-21)8-10-25/h2-6,11,27H,7-10,12H2,1H3,(H,23,24,26)
InChIKeyDXHVPKDWYNYPAR-UHFFFAOYSA-N
XLogP3.70
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-{5-[2-(Morpholin-4-Yl)ethoxy]-6-(Pyridin-3-Yl)[1,3]thiazolo[5,4-B]pyridin-2-Yl}-3-Prop-2-En-1-Ylurea
CID 59352802
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
M1069 (free base)
CID 154659422
1-Ethyl-3-[6-(3-pyridyl)-5-tetrahydropyran-4-yloxy-thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713295
1-[6-[6-(2-Dimethylaminoethyloxy)-3-pyridyl]-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]-3-ethyl-urea
CID 72713308
3-[6-(5-Methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-1,1-dimethylurea
CID 118721837
1-[6-(6-Methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 122188117
1-[5-(2-Morpholin-4-ium-4-ylethoxy)-6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-enylurea
CID 78225506
3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829448
4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829619
4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829958
4-[2-Methoxy-1-(3-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24830611

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (CID 142524472) is 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is DXHVPKDWYNYPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-28-17-15-16(14(11-22-17)13-5-3-2-4-6-13)29-18(23-15)24-19(26)25-9-7-20(27,12-21)8-10-25/h2-6,11,27H,7-10,12H2,1H3,(H,23,24,26).
What are the key properties of 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 142524472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).