4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one

C13H18N2O3S — CID 581120

IUPAC4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CCO1)OC(=O)CC2c1csc(N)n1
InChIInChI=1S/C13H18N2O3S/c1-12(2)7-13(3-4-17-12)8(5-10(16)18-13)9-6-19-11(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15)
InChIKeyMKAYHQWRMWBALC-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.08
Rot. Bonds1

About 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one

4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one (PubChem CID 581120) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
PubChem CID581120
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one
SMILESCC1(C)CC2(CCO1)OC(=O)CC2c1csc(N)n1
InChIInChI=1S/C13H18N2O3S/c1-12(2)7-13(3-4-17-12)8(5-10(16)18-13)9-6-19-11(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15)
InChIKeyMKAYHQWRMWBALC-UHFFFAOYSA-N
XLogP2.08
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one with MolForge

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Related Compounds

4-(2-Amino-thiazol-4-yl)-1-oxa-spiro[4.5]decan-2-one
CID 581119
(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
CID 800171
7,7-Dimethyl-4-(2-methyl-4-thiazolyl)-1,8-dioxaspiro[4.5]decan-2-one
CID 580746
Ethyl 2-(2-amino-4-thiazolyl)heptanoate
CID 587869
Methyl 3-(2-guanidinothiazol-4-yl)cyclopentane carboxylate
CID 20184647
racemic 2(R,S)-{(2-amino-4-thiazolyl)methyl}-1,4-butanedioic acid 4-(1,1-dimethylethyl) 1-methyl ester
CID 88262284
4-O-tert-butyl 1-O-methyl (2R)-2-[(2-amino-1,3-thiazol-4-yl)methyl]butanedioate
CID 88262285
Ethyl 2-(2-amino-1,3-thiazol-4-yl)hexanoate
CID 141354069
(4R,5S)-7,7-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1,8-dioxaspiro[4.5]decan-2-one
CID 677786
(4S,5S)-7,7-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1,8-dioxaspiro[4.5]decan-2-one
CID 677787
(4R,5R)-7,7-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1,8-dioxaspiro[4.5]decan-2-one
CID 677788
(4S,5R)-7,7-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)-1,8-dioxaspiro[4.5]decan-2-one
CID 677789

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one (CID 581120) is 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one is CC1(C)CC2(CCO1)OC(=O)CC2c1csc(N)n1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one?
The InChIKey is MKAYHQWRMWBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-12(2)7-13(3-4-17-12)8(5-10(16)18-13)9-6-19-11(14)15-9/h6,8H,3-5,7H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one?
4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one has a molecular weight of 282.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-7,7-dimethyl-1,8-dioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).