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

C12H16N4OS2 — CID 28900969

IUPACN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCc1nc(NC(=O)CC(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H16N4OS2/c1-6(2)4-9(17)16-12-14-7(3)10(19-12)8-5-18-11(13)15-8/h5-6H,4H2,1-3H3,(H2,13,15)(H,14,16,17)
InChIKeyPJGPRJNBHYHJAH-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.14
Rot. Bonds4

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

N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 28900969) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID28900969
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]-3-methylbutanamide
SMILESCc1nc(NC(=O)CC(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H16N4OS2/c1-6(2)4-9(17)16-12-14-7(3)10(19-12)8-5-18-11(13)15-8/h5-6H,4H2,1-3H3,(H2,13,15)(H,14,16,17)
InChIKeyPJGPRJNBHYHJAH-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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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Related Compounds

N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
5-[[5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]amino]-2-methyl-5-oxopentanoic acid
CID 118205795
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63947443
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877340
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate
CID 2230892
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 5344979

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]-3-methylbutanamide?
The IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide (CID 28900969) is N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide is Cc1nc(NC(=O)CC(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]-3-methylbutanamide?
The InChIKey is PJGPRJNBHYHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-6(2)4-9(17)16-12-14-7(3)10(19-12)8-5-18-11(13)15-8/h5-6H,4H2,1-3H3,(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]-3-methylbutanamide?
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 296.42 g/mol, XLogP of 3.14, 4 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]-3-methylbutanamide is sourced from PubChem (CID 28900969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).