[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone

C16H24N2O3S — CID 164635178

IUPAC[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC(C)(C)Cc1ncc(C(=O)N2CCO[C@]3(CCOC3)C2)s1
InChIInChI=1S/C16H24N2O3S/c1-15(2,3)8-13-17-9-12(22-13)14(19)18-5-7-21-16(10-18)4-6-20-11-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1
InChIKeyCHYZEPZCGDRMGA-MRXNPFEDSA-N
MW324.45 g/mol
LogP2.36
Rot. Bonds2

About [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone

[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 164635178) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID164635178
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCC(C)(C)Cc1ncc(C(=O)N2CCO[C@]3(CCOC3)C2)s1
InChIInChI=1S/C16H24N2O3S/c1-15(2,3)8-13-17-9-12(22-13)14(19)18-5-7-21-16(10-18)4-6-20-11-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1
InChIKeyCHYZEPZCGDRMGA-MRXNPFEDSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
tert-Butyl 4-(2-isopropylthiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 57989386
4-(2-Methyl-1,3-thiazole-5-carbonyl)morpholine
CID 68014567
Morpholin-4-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 169320683
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47398558
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 47398724
(2-Tert-butyl-1,3-thiazol-5-yl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 47423657
(2-Tert-butyl-1,3-thiazol-5-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432522
(2-Tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 47883909
(2-Ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
(3-Ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 48580337

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 164635178) is [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone is CC(C)(C)Cc1ncc(C(=O)N2CCO[C@]3(CCOC3)C2)s1.
What is the InChIKey of [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is CHYZEPZCGDRMGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-15(2,3)8-13-17-9-12(22-13)14(19)18-5-7-21-16(10-18)4-6-20-11-16/h9H,4-8,10-11H2,1-3H3/t16-/m1/s1.
What are the key properties of [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone?
[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 164635178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).