N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C22H22F2N4O3S — CID 142524415

IUPACN-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cc(F)ccc2F)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H22F2N4O3S/c1-30-19-17-18(15(11-25-19)14-10-13(23)2-3-16(14)24)32-20(26-17)27-21(29)28-7-4-22(12-28)5-8-31-9-6-22/h2-3,10-11H,4-9,12H2,1H3,(H,26,27,29)
InChIKeyNOFBTNGKNXVYLY-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.68
Rot. Bonds3

About N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 142524415) has the molecular formula C22H22F2N4O3S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID142524415
Molecular FormulaC22H22F2N4O3S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC NameN-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cc(F)ccc2F)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C22H22F2N4O3S/c1-30-19-17-18(15(11-25-19)14-10-13(23)2-3-16(14)24)32-20(26-17)27-21(29)28-7-4-22(12-28)5-8-31-9-6-22/h2-3,10-11H,4-9,12H2,1H3,(H,26,27,29)
InChIKeyNOFBTNGKNXVYLY-UHFFFAOYSA-N
XLogP4.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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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
1-Ethyl-3-[6-(6-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352798
1-Ethyl-3-[6-(3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352812
1-Ethyl-3-[6-(5-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352845
M1069 (free base)
CID 154659422
1-Ethyl-3-[6-(6-methyl-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713304
1-Ethyl-3-[6-(5-methoxy-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713305
1-[6-[6-(2-Dimethylaminoethyloxy)-3-pyridyl]-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]-3-ethyl-urea
CID 72713308
1-[6-[5-(2-Dimethylaminoethyloxy)-3-pyridyl]-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]-3-ethyl-urea
CID 72713309
1-Ethyl-3-[6-[5-(2-morpholinoethoxy)-3-pyridyl]-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713310
1-[5-[5-[(4-Fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 122188122
1-[6-(6-Methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 122188117

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 142524415) is N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(-c2cc(F)ccc2F)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is NOFBTNGKNXVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S/c1-30-19-17-18(15(11-25-19)14-10-13(23)2-3-16(14)24)32-20(26-17)27-21(29)28-7-4-22(12-28)5-8-31-9-6-22/h2-3,10-11H,4-9,12H2,1H3,(H,26,27,29).
What are the key properties of N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,5-difluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 142524415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).