3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

C19H31N3O3S — CID 4568828

IUPAC3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCC(CC(=O)N(CC(=O)Nc1nccs1)CC1CCCO1)CC(C)(C)C
InChIInChI=1S/C19H31N3O3S/c1-14(11-19(2,3)4)10-17(24)22(12-15-6-5-8-25-15)13-16(23)21-18-20-7-9-26-18/h7,9,14-15H,5-6,8,10-13H2,1-4H3,(H,20,21,23)
InChIKeyAWUOBOHMTCCVOZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.55
Rot. Bonds8

About 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide

3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (PubChem CID 4568828) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
PubChem CID4568828
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
SMILESCC(CC(=O)N(CC(=O)Nc1nccs1)CC1CCCO1)CC(C)(C)C
InChIInChI=1S/C19H31N3O3S/c1-14(11-19(2,3)4)10-17(24)22(12-15-6-5-8-25-15)13-16(23)21-18-20-7-9-26-18/h7,9,14-15H,5-6,8,10-13H2,1-4H3,(H,20,21,23)
InChIKeyAWUOBOHMTCCVOZ-UHFFFAOYSA-N
XLogP3.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide 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 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide (CID 4568828) is 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is CC(CC(=O)N(CC(=O)Nc1nccs1)CC1CCCO1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
The InChIKey is AWUOBOHMTCCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14(11-19(2,3)4)10-17(24)22(12-15-6-5-8-25-15)13-16(23)21-18-20-7-9-26-18/h7,9,14-15H,5-6,8,10-13H2,1-4H3,(H,20,21,23).
What are the key properties of 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide?
3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide has a molecular weight of 381.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide is sourced from PubChem (CID 4568828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).