4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H23N3O3S — CID 97471461

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC(=O)N1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2
InChIInChI=1S/C16H23N3O3S/c1-3-14(20)18-6-4-16(5-7-18)11-19(15(21)9-22-16)8-13-10-23-12(2)17-13/h10H,3-9,11H2,1-2H3
InChIKeyDYCPPZWBYZGQIB-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.58
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471461) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471461
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCC(=O)N1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2
InChIInChI=1S/C16H23N3O3S/c1-3-14(20)18-6-4-16(5-7-18)11-19(15(21)9-22-16)8-13-10-23-12(2)17-13/h10H,3-9,11H2,1-2H3
InChIKeyDYCPPZWBYZGQIB-UHFFFAOYSA-N
XLogP1.58
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-methylsulfonylpropanoyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131690904
9-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155836446
1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 155870303
(2-methyl-1,3-thiazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688995
7-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131657994
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648352
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689189
2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
(5R)-7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451405
7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131661956
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 131689559

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471461) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCC(=O)N1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DYCPPZWBYZGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-14(20)18-6-4-16(5-7-18)11-19(15(21)9-22-16)8-13-10-23-12(2)17-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 337.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).