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

C23H30N4O4S — CID 164738655

IUPAC(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(C2=CCC(OC)CC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12
InChIInChI=1S/C23H30N4O4S/c1-29-16-6-4-15(5-7-16)17-12-24-20(30-2)18-19(17)32-21(25-18)26-22(28)27-10-9-23(13-27)8-3-11-31-14-23/h4,12,16H,3,5-11,13-14H2,1-2H3,(H,25,26,28)/t16?,23-/m0/s1
InChIKeyQVONTYMNVVMJFM-KESSSICBSA-N
MW458.58 g/mol
LogP4.32
Rot. Bonds4

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

(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164738655) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738655
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(C2=CCC(OC)CC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12
InChIInChI=1S/C23H30N4O4S/c1-29-16-6-4-15(5-7-16)17-12-24-20(30-2)18-19(17)32-21(25-18)26-22(28)27-10-9-23(13-27)8-3-11-31-14-23/h4,12,16H,3,5-11,13-14H2,1-2H3,(H,25,26,28)/t16?,23-/m0/s1
InChIKeyQVONTYMNVVMJFM-KESSSICBSA-N
XLogP4.32
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[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

N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 158377073
N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738669
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 142524382
1-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1,4-dicarboxamide
CID 164738811
N-[7-(2-amino-3-methylsulfonylphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 172789316
tert-butyl N-[3-[4-methoxy-2-(8-oxa-2-azaspiro[4.5]decane-2-carbonylamino)-[1,3]thiazolo[4,5-c]pyridin-7-yl]phenyl]carbamate
CID 154659404
N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738740
N-[4-methoxy-7-[3-(1,3-oxazol-4-ylmethylamino)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738654
(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
CID 142524403
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 142524386

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738655) is (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[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-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(C2=CCC(OC)CC2)c2sc(NC(=O)N3CC[C@@]4(CCCOC4)C3)nc12.
What is the InChIKey of (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is QVONTYMNVVMJFM-KESSSICBSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-29-16-6-4-15(5-7-16)17-12-24-20(30-2)18-19(17)32-21(25-18)26-22(28)27-10-9-23(13-27)8-3-11-31-14-23/h4,12,16H,3,5-11,13-14H2,1-2H3,(H,25,26,28)/t16?,23-/m0/s1.
What are the key properties of (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164738655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).