N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C17H22N4O2S — CID 146652572

IUPACN-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1cc2sc(NC(=O)N3CCC4(CCOCC4)C3)nc2c(C)n1
InChIInChI=1S/C17H22N4O2S/c1-11-9-13-14(12(2)18-11)19-15(24-13)20-16(22)21-6-3-17(10-21)4-7-23-8-5-17/h9H,3-8,10H2,1-2H3,(H,19,20,22)
InChIKeyXBBPGIKJWDEION-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.34
Rot. Bonds1

About N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 146652572) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID146652572
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1cc2sc(NC(=O)N3CCC4(CCOCC4)C3)nc2c(C)n1
InChIInChI=1S/C17H22N4O2S/c1-11-9-13-14(12(2)18-11)19-15(24-13)20-16(22)21-6-3-17(10-21)4-7-23-8-5-17/h9H,3-8,10H2,1-2H3,(H,19,20,22)
InChIKeyXBBPGIKJWDEION-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
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
(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-(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
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
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
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
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992151
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 146652572) is N-(4,6-dimethyl-[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-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is Cc1cc2sc(NC(=O)N3CCC4(CCOCC4)C3)nc2c(C)n1.
What is the InChIKey of N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is XBBPGIKJWDEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-9-13-14(12(2)18-11)19-15(24-13)20-16(22)21-6-3-17(10-21)4-7-23-8-5-17/h9H,3-8,10H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 146652572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).