N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

C19H26N4O4S — CID 3205580

IUPACN'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C19H26N4O4S/c1-4-19(2,3)22-16(25)13-23(12-14-6-5-10-27-14)17(26)8-7-15(24)21-18-20-9-11-28-18/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyHTNUKMLCTVBLLR-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.79
Rot. Bonds10

About N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide

N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 3205580) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID3205580
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
SMILESCCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C19H26N4O4S/c1-4-19(2,3)22-16(25)13-23(12-14-6-5-10-27-14)17(26)8-7-15(24)21-18-20-9-11-28-18/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyHTNUKMLCTVBLLR-UHFFFAOYSA-N
XLogP2.79
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide 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 N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide (CID 3205580) is N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is CCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is HTNUKMLCTVBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-19(2,3)22-16(25)13-23(12-14-6-5-10-27-14)17(26)8-7-15(24)21-18-20-9-11-28-18/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H,22,25)(H,20,21,24).
What are the key properties of N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide?
N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 406.51 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3205580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).