methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate

C12H19N3O2S — CID 80572769

IUPACmethyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H19N3O2S/c1-14-6-4-5-9(14)8-15(2)12-13-7-10(18-12)11(16)17-3/h7,9H,4-6,8H2,1-3H3
InChIKeyPBNOGAUOVYONOY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 80572769) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID80572769
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(C)CC2CCCN2C)s1
InChIInChI=1S/C12H19N3O2S/c1-14-6-4-5-9(14)8-15(2)12-13-7-10(18-12)11(16)17-3/h7,9H,4-6,8H2,1-3H3
InChIKeyPBNOGAUOVYONOY-UHFFFAOYSA-N
XLogP1.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 79313458
methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571000
methyl 2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylate
CID 80571032
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
methyl 3-amino-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoate
CID 79312975
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571139
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79318218
2-[3-methoxypropyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63009264
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
methyl 2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 80571148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate (CID 80572769) is methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N(C)CC2CCCN2C)s1.
What is the InChIKey of methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is PBNOGAUOVYONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14-6-4-5-9(14)8-15(2)12-13-7-10(18-12)11(16)17-3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).