N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide

C10H15N3O2S — CID 24630482

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c1-3-6(2)9(15)13-10-12-7(5-16-10)4-8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15)
InChIKeyGAYAIDAXJUWCSA-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.16
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide (PubChem CID 24630482) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
PubChem CID24630482
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C10H15N3O2S/c1-3-6(2)9(15)13-10-12-7(5-16-10)4-8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15)
InChIKeyGAYAIDAXJUWCSA-UHFFFAOYSA-N
XLogP1.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24584497
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 40808896
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 55776172

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide (CID 24630482) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide?
The InChIKey is GAYAIDAXJUWCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-6(2)9(15)13-10-12-7(5-16-10)4-8(11)14/h5-6H,3-4H2,1-2H3,(H2,11,14)(H,12,13,15).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide has a molecular weight of 241.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide is sourced from PubChem (CID 24630482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).