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

C20H20F2N4O3S — CID 142524459

IUPAC4-(difluoromethyl)-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)(C(F)F)CC3)nc12
InChIInChI=1S/C20H20F2N4O3S/c1-29-16-14-15(13(11-23-16)12-5-3-2-4-6-12)30-18(24-14)25-19(27)26-9-7-20(28,8-10-26)17(21)22/h2-6,11,17,28H,7-10H2,1H3,(H,24,25,27)
InChIKeyVGIBWAFCQABHIK-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.99
Rot. Bonds4

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

4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 142524459) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID142524459
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC Name4-(difluoromethyl)-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)(C(F)F)CC3)nc12
InChIInChI=1S/C20H20F2N4O3S/c1-29-16-14-15(13(11-23-16)12-5-3-2-4-6-12)30-18(24-14)25-19(27)26-9-7-20(28,8-10-26)17(21)22/h2-6,11,17,28H,7-10H2,1H3,(H,24,25,27)
InChIKeyVGIBWAFCQABHIK-UHFFFAOYSA-N
XLogP3.99
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.99
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
2-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 118721840
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
4-Hydroxy-4-[3-(trifluoromethy)phenyl]piperidine-1-carboxylic acid (5-methanesulfonyl-7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24830613
4-Hydroxy-4-[3-(trifluoromethy)phenyl]piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-b]pyridine-2-yl)-amide
CID 24830615

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide (CID 142524459) is 4-(difluoromethyl)-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-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-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)(C(F)F)CC3)nc12.
What is the InChIKey of 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is VGIBWAFCQABHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-29-16-14-15(13(11-23-16)12-5-3-2-4-6-12)30-18(24-14)25-19(27)26-9-7-20(28,8-10-26)17(21)22/h2-6,11,17,28H,7-10H2,1H3,(H,24,25,27).
What are the key properties of 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide?
4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 142524459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).