methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

C13H16N2O2S2 — CID 80570811

IUPACmethyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccsc1CNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C13H16N2O2S2/c1-4-9-5-6-18-10(9)7-14-13-15-8(2)11(19-13)12(16)17-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyUIZZQFGEXQVMEW-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.47
Rot. Bonds5

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

methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80570811) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80570811
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Namemethyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCc1ccsc1CNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C13H16N2O2S2/c1-4-9-5-6-18-10(9)7-14-13-15-8(2)11(19-13)12(16)17-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyUIZZQFGEXQVMEW-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80569959
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573183
methyl 2-[(3-chloro-4-fluorophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570146
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569591
methyl 4-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylate
CID 80569924
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 4-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 138012760
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80570811) is methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCc1ccsc1CNc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UIZZQFGEXQVMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-4-9-5-6-18-10(9)7-14-13-15-8(2)11(19-13)12(16)17-3/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 296.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).