2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C18H24N4O2S — CID 95832841

IUPAC2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)cc(C)n1
InChIInChI=1S/C18H24N4O2S/c1-12-10-13(21-17-19-7-9-25-17)11-14(20-12)15-6-5-8-22(15)16(23)18(2,3)24-4/h7,9-11,15H,5-6,8H2,1-4H3,(H,19,20,21)/t15-/m1/s1
InChIKeyZCEIXZDWLFREJK-OAHLLOKOSA-N
MW360.48 g/mol
LogP3.68
Rot. Bonds5

About 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95832841) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID95832841
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)cc(C)n1
InChIInChI=1S/C18H24N4O2S/c1-12-10-13(21-17-19-7-9-25-17)11-14(20-12)15-6-5-8-22(15)16(23)18(2,3)24-4/h7,9-11,15H,5-6,8H2,1-4H3,(H,19,20,21)/t15-/m1/s1
InChIKeyZCEIXZDWLFREJK-OAHLLOKOSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 95832670
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832847
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95832696
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110262802
2-(4-fluorophenyl)-1-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832661
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
2-methoxy-2-methyl-1-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110111578
2-(2,4-difluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832743
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]propan-1-one
CID 95844576
[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110093546

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 95832841) is 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Nc2nccs2)cc(C)n1.
What is the InChIKey of 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZCEIXZDWLFREJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-10-13(21-17-19-7-9-25-17)11-14(20-12)15-6-5-8-22(15)16(23)18(2,3)24-4/h7,9-11,15H,5-6,8H2,1-4H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 360.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95832841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).