N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide

C17H22N4O3S2 — CID 21156927

IUPACN'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCC(C)C(C(N)=O)N(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C17H22N4O3S2/c1-11(2)15(16(18)24)21(10-12-4-3-8-25-12)14(23)6-5-13(22)20-17-19-7-9-26-17/h3-4,7-9,11,15H,5-6,10H2,1-2H3,(H2,18,24)(H,19,20,22)
InChIKeyGNDVTMMIPNFNOG-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.46
Rot. Bonds9

About N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide

N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide (PubChem CID 21156927) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide
PubChem CID21156927
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCC(C)C(C(N)=O)N(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1
InChIInChI=1S/C17H22N4O3S2/c1-11(2)15(16(18)24)21(10-12-4-3-8-25-12)14(23)6-5-13(22)20-17-19-7-9-26-17/h3-4,7-9,11,15H,5-6,10H2,1-2H3,(H2,18,24)(H,19,20,22)
InChIKeyGNDVTMMIPNFNOG-UHFFFAOYSA-N
XLogP2.46
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-N'-(2-methoxyethyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 21156947
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
CID 3204981
N'-(furan-2-ylmethyl)-N'-[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205556
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
N'-(4-methylphenyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205463
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
N'-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-yl-N'-(thiophen-2-ylmethyl)butanediamide
CID 40901678

Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The IUPAC name of N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide (CID 21156927) is N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide.
What is the SMILES notation for N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The canonical SMILES for N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide is CC(C)C(C(N)=O)N(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1.
What is the InChIKey of N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
The InChIKey is GNDVTMMIPNFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-11(2)15(16(18)24)21(10-12-4-3-8-25-12)14(23)6-5-13(22)20-17-19-7-9-26-17/h3-4,7-9,11,15H,5-6,10H2,1-2H3,(H2,18,24)(H,19,20,22).
What are the key properties of N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide?
N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide has a molecular weight of 394.52 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-3-methyl-1-oxobutan-2-yl)-N-(1,3-thiazol-2-yl)-N'-(thiophen-2-ylmethyl)butanediamide is sourced from PubChem (CID 21156927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).