methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C12H18N2O3S — CID 80569715

IUPACmethyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCN(c1nc(C)c(C(=O)OC)s1)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8-10(11(15)17-3)18-12(13-8)14(6-7-16-2)9-4-5-9/h9H,4-7H2,1-3H3
InChIKeyJSFGNTIYFAEYPB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569715) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569715
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCN(c1nc(C)c(C(=O)OC)s1)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8-10(11(15)17-3)18-12(13-8)14(6-7-16-2)9-4-5-9/h9H,4-7H2,1-3H3
InChIKeyJSFGNTIYFAEYPB-UHFFFAOYSA-N
XLogP1.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80569715) is methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COCCN(c1nc(C)c(C(=O)OC)s1)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JSFGNTIYFAEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-10(11(15)17-3)18-12(13-8)14(6-7-16-2)9-4-5-9/h9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).