N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C12H16N4OS2 — CID 28900959

IUPACN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H16N4OS2/c1-6-8(7-5-18-10(13)15-7)19-11(14-6)16-9(17)12(2,3)4/h5H,1-4H3,(H2,13,15)(H,14,16,17)
InChIKeyGSRQFKOWFFRWGJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.14
Rot. Bonds2

About N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 28900959) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID28900959
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H16N4OS2/c1-6-8(7-5-18-10(13)15-7)19-11(14-6)16-9(17)12(2,3)4/h5H,1-4H3,(H2,13,15)(H,14,16,17)
InChIKeyGSRQFKOWFFRWGJ-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 28900959) is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(N)n1.
What is the InChIKey of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is GSRQFKOWFFRWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-6-8(7-5-18-10(13)15-7)19-11(14-6)16-9(17)12(2,3)4/h5H,1-4H3,(H2,13,15)(H,14,16,17).
What are the key properties of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 296.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 28900959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).