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

C12H18N2O2S — CID 80570466

IUPACmethyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)C2CC2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-7-10(11(15)16-4)17-12(13-7)14(3)8(2)9-5-6-9/h8-9H,5-6H2,1-4H3
InChIKeyATTWSTHGHFDFFA-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.47
Rot. Bonds4

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

methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80570466) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80570466
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)C2CC2)nc1C
InChIInChI=1S/C12H18N2O2S/c1-7-10(11(15)16-4)17-12(13-7)14(3)8(2)9-5-6-9/h8-9H,5-6H2,1-4H3
InChIKeyATTWSTHGHFDFFA-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80570466) is methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C(C)C2CC2)nc1C.
What is the InChIKey of methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ATTWSTHGHFDFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-10(11(15)16-4)17-12(13-7)14(3)8(2)9-5-6-9/h8-9H,5-6H2,1-4H3.
What are the key properties of methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).