N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

C12H20N4O2S — CID 71986715

IUPACN-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(CC)c1nccs1
InChIInChI=1S/C12H20N4O2S/c1-4-12(3,10-14-6-7-19-10)15-8-9(17)16-11(18)13-5-2/h6-7,15H,4-5,8H2,1-3H3,(H2,13,16,17,18)
InChIKeyIUMBDYUUHKVSDF-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.20
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide

N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (PubChem CID 71986715) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
PubChem CID71986715
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC NameN-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(CC)c1nccs1
InChIInChI=1S/C12H20N4O2S/c1-4-12(3,10-14-6-7-19-10)15-8-9(17)16-11(18)13-5-2/h6-7,15H,4-5,8H2,1-3H3,(H2,13,16,17,18)
InChIKeyIUMBDYUUHKVSDF-UHFFFAOYSA-N
XLogP1.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide 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-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
5-Methyl-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 64990799
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
1-pentyl-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97215596
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 99823672

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide (CID 71986715) is N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is CCNC(=O)NC(=O)CNC(C)(CC)c1nccs1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
The InChIKey is IUMBDYUUHKVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-12(3,10-14-6-7-19-10)15-8-9(17)16-11(18)13-5-2/h6-7,15H,4-5,8H2,1-3H3,(H2,13,16,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide?
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide has a molecular weight of 284.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide is sourced from PubChem (CID 71986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).