(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

C21H26N4O4S — CID 154659422

IUPAC(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12
InChIInChI=1S/C21H26N4O4S/c1-27-18-16-17(15(11-22-18)14-3-9-28-10-4-14)30-19(23-16)24-20(26)25-7-6-21(12-25)5-2-8-29-13-21/h3,11H,2,4-10,12-13H2,1H3,(H,23,24,26)/t21-/m0/s1
InChIKeyCSSAKLQGJYJMNW-NRFANRHFSA-N
MW430.53 g/mol
LogP3.54
Rot. Bonds3

About (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 154659422) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID154659422
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12
InChIInChI=1S/C21H26N4O4S/c1-27-18-16-17(15(11-22-18)14-3-9-28-10-4-14)30-19(23-16)24-20(26)25-7-6-21(12-25)5-2-8-29-13-21/h3,11H,2,4-10,12-13H2,1H3,(H,23,24,26)/t21-/m0/s1
InChIKeyCSSAKLQGJYJMNW-NRFANRHFSA-N
XLogP3.54
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-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
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
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-(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
N-[7-(4-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524358
N-[6-fluoro-4-methoxy-7-[3-(2-methoxyethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524361
N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 142524367
N-[7-(3-fluorophenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524371
N-(6-fluoro-4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524374

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 154659422) is (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(C2=CCOCC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12.
What is the InChIKey of (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is CSSAKLQGJYJMNW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-27-18-16-17(15(11-22-18)14-3-9-28-10-4-14)30-19(23-16)24-20(26)25-7-6-21(12-25)5-2-8-29-13-21/h3,11H,2,4-10,12-13H2,1H3,(H,23,24,26)/t21-/m0/s1.
What are the key properties of (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 154659422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).