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

C11H15N5O2S — CID 136573183

IUPACmethyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCn1ncc(CNc2nc(C)c(C(=O)OC)s2)n1
InChIInChI=1S/C11H15N5O2S/c1-4-16-13-6-8(15-16)5-12-11-14-7(2)9(19-11)10(17)18-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyLMSHHNNSVWMIEQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.46
Rot. Bonds5

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

methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 136573183) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID136573183
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCn1ncc(CNc2nc(C)c(C(=O)OC)s2)n1
InChIInChI=1S/C11H15N5O2S/c1-4-16-13-6-8(15-16)5-12-11-14-7(2)9(19-11)10(17)18-3/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyLMSHHNNSVWMIEQ-UHFFFAOYSA-N
XLogP1.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570811
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 4-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 138012760
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
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-[(3-chloro-4-fluorophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570146
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 136573183) is methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCn1ncc(CNc2nc(C)c(C(=O)OC)s2)n1.
What is the InChIKey of methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is LMSHHNNSVWMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-4-16-13-6-8(15-16)5-12-11-14-7(2)9(19-11)10(17)18-3/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 136573183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).