methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate

C12H16N4O2S — CID 113307000

IUPACmethyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCc2nccn2C)sc1C
InChIInChI=1S/C12H16N4O2S/c1-8-10(11(17)18-3)15-12(19-8)14-5-4-9-13-6-7-16(9)2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKGCQPQTUBPWMBZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.63
Rot. Bonds5

About methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 113307000) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID113307000
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Namemethyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NCCc2nccn2C)sc1C
InChIInChI=1S/C12H16N4O2S/c1-8-10(11(17)18-3)15-12(19-8)14-5-4-9-13-6-7-16(9)2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKGCQPQTUBPWMBZ-UHFFFAOYSA-N
XLogP1.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 115422895
methyl 2-[2-(furan-2-yl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306858
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
ethyl 5-methyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106106707
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
ethyl 5-methyl-2-(3-pyrazol-1-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 116527096
methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114702175
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
CID 103545463

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 113307000) is methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NCCc2nccn2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is KGCQPQTUBPWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-10(11(17)18-3)15-12(19-8)14-5-4-9-13-6-7-16(9)2/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).