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

C12H15N3OS2 — CID 55113615

IUPAC1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2csc(C)n2)nc1C
InChIInChI=1S/C12H15N3OS2/c1-7-11(8(2)16)18-12(13-7)15(4)5-10-6-17-9(3)14-10/h6H,5H2,1-4H3
InChIKeyCUGUDQBVBDLTNZ-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.06
Rot. Bonds4

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

1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 55113615) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
PubChem CID55113615
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2csc(C)n2)nc1C
InChIInChI=1S/C12H15N3OS2/c1-7-11(8(2)16)18-12(13-7)15(4)5-10-6-17-9(3)14-10/h6H,5H2,1-4H3
InChIKeyCUGUDQBVBDLTNZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62751156
1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 79858127
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62750633
ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 166335978
1-[2-bromo-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]phenyl]ethanone
CID 114068655
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273
5,5-dimethyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750634
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-[5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-nitrophenyl]ethanone
CID 104613603
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzoic acid
CID 102822761

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone (CID 55113615) is 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)Cc2csc(C)n2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is CUGUDQBVBDLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-7-11(8(2)16)18-12(13-7)15(4)5-10-6-17-9(3)14-10/h6H,5H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 281.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 55113615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).