3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H29N3O3S — CID 70705036

IUPAC3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3csc(C(C)C)n3)CC2)OC1=O
InChIInChI=1S/C19H29N3O3S/c1-5-6-14(4)22-12-19(25-18(22)24)7-9-21(10-8-19)17(23)15-11-26-16(20-15)13(2)3/h11,13-14H,5-10,12H2,1-4H3
InChIKeyMESBMLOSQWZCRL-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.88
Rot. Bonds5

About 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70705036) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70705036
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3csc(C(C)C)n3)CC2)OC1=O
InChIInChI=1S/C19H29N3O3S/c1-5-6-14(4)22-12-19(25-18(22)24)7-9-21(10-8-19)17(23)15-11-26-16(20-15)13(2)3/h11,13-14H,5-10,12H2,1-4H3
InChIKeyMESBMLOSQWZCRL-UHFFFAOYSA-N
XLogP3.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70705036) is 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3csc(C(C)C)n3)CC2)OC1=O.
What is the InChIKey of 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MESBMLOSQWZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-5-6-14(4)22-12-19(25-18(22)24)7-9-21(10-8-19)17(23)15-11-26-16(20-15)13(2)3/h11,13-14H,5-10,12H2,1-4H3.
What are the key properties of 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 379.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-8-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70705036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).