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

C14H23N3O2S — CID 80570367

IUPACmethyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCN(C(C)C)C2)nc1C
InChIInChI=1S/C14H23N3O2S/c1-9(2)17-6-5-11(8-17)7-15-14-16-10(3)12(20-14)13(18)19-4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyICCBPUARAWGWSN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.38
Rot. Bonds5

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

methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 80570367) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID80570367
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCN(C(C)C)C2)nc1C
InChIInChI=1S/C14H23N3O2S/c1-9(2)17-6-5-11(8-17)7-15-14-16-10(3)12(20-14)13(18)19-4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChIKeyICCBPUARAWGWSN-UHFFFAOYSA-N
XLogP2.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526599
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571216
methyl 4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 114516930
methyl 2-[(1,1-dioxothiolan-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 81046617
methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80570343
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 4-methyl-2-[(2-methyloxolan-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 114106954
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000295
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate (CID 80570367) is methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC2CCN(C(C)C)C2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is ICCBPUARAWGWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)17-6-5-11(8-17)7-15-14-16-10(3)12(20-14)13(18)19-4/h9,11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).