1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

C18H21N3O3S — CID 110648806

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccn2)cs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N3O3S/c22-17(21-9-6-18(7-10-21)23-11-12-24-18)5-4-16-20-15(13-25-16)14-3-1-2-8-19-14/h1-3,8,13H,4-7,9-12H2
InChIKeyRZCROUWCEYPJBM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.50
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 110648806) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID110648806
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccn2)cs1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N3O3S/c22-17(21-9-6-18(7-10-21)23-11-12-24-18)5-4-16-20-15(13-25-16)14-3-1-2-8-19-14/h1-3,8,13H,4-7,9-12H2
InChIKeyRZCROUWCEYPJBM-UHFFFAOYSA-N
XLogP2.50
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647750
1-(3-methylpiperidin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649386
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-one
CID 110333123
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one
CID 110333036
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
4-(aminomethyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120941520
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one (CID 110648806) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nc(-c2ccccn2)cs1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is RZCROUWCEYPJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(21-9-6-18(7-10-21)23-11-12-24-18)5-4-16-20-15(13-25-16)14-3-1-2-8-19-14/h1-3,8,13H,4-7,9-12H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 359.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110648806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).