[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C20H20N4OS — CID 56670441

IUPAC[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1
InChIInChI=1S/C20H20N4OS/c1-13-8-17(15-5-6-22-14(2)9-15)23-10-16(13)18-4-3-7-24(18)20(25)19-11-21-12-26-19/h5-6,8-12,18H,3-4,7H2,1-2H3
InChIKeyUNOLYCWUAKOIGH-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.19
Rot. Bonds3

About [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 56670441) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID56670441
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1
InChIInChI=1S/C20H20N4OS/c1-13-8-17(15-5-6-22-14(2)9-15)23-10-16(13)18-4-3-7-24(18)20(25)19-11-21-12-26-19/h5-6,8-12,18H,3-4,7H2,1-2H3
InChIKeyUNOLYCWUAKOIGH-UHFFFAOYSA-N
XLogP4.19
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 56670441) is [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1cc(-c2cc(C)c(C3CCCN3C(=O)c3cncs3)cn2)ccn1.
What is the InChIKey of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is UNOLYCWUAKOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-8-17(15-5-6-22-14(2)9-15)23-10-16(13)18-4-3-7-24(18)20(25)19-11-21-12-26-19/h5-6,8-12,18H,3-4,7H2,1-2H3.
What are the key properties of [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).