[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone

C20H17N5O3S — CID 67429660

IUPAC[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCOc1ncc(-c2cccc(-n3cnc(C(=O)c4ncc(C)s4)c3)c2)c(OC)n1
InChIInChI=1S/C20H17N5O3S/c1-12-8-21-19(29-12)17(26)16-10-25(11-23-16)14-6-4-5-13(7-14)15-9-22-20(28-3)24-18(15)27-2/h4-11H,1-3H3
InChIKeyWVRQBTUGPYXTCI-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.34
Rot. Bonds6

About [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone

[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 67429660) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
PubChem CID67429660
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCOc1ncc(-c2cccc(-n3cnc(C(=O)c4ncc(C)s4)c3)c2)c(OC)n1
InChIInChI=1S/C20H17N5O3S/c1-12-8-21-19(29-12)17(26)16-10-25(11-23-16)14-6-4-5-13(7-14)15-9-22-20(28-3)24-18(15)27-2/h4-11H,1-3H3
InChIKeyWVRQBTUGPYXTCI-UHFFFAOYSA-N
XLogP3.34
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (CID 67429660) is [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is COc1ncc(-c2cccc(-n3cnc(C(=O)c4ncc(C)s4)c3)c2)c(OC)n1.
What is the InChIKey of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is WVRQBTUGPYXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12-8-21-19(29-12)17(26)16-10-25(11-23-16)14-6-4-5-13(7-14)15-9-22-20(28-3)24-18(15)27-2/h4-11H,1-3H3.
What are the key properties of [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 407.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 67429660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).