5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole

C22H25N5OS — CID 50964725

IUPAC5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2sc(COC)nc2C)c(C)n1
InChIInChI=1S/C22H25N5OS/c1-5-27-11-18(15(2)25-27)22-21(17-9-7-6-8-10-17)23-14-26(22)12-19-16(3)24-20(29-19)13-28-4/h6-11,14H,5,12-13H2,1-4H3
InChIKeyDSUNHEMQHZQXRO-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.70
Rot. Bonds7

About 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole

5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole (PubChem CID 50964725) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole
PubChem CID50964725
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2Cc2sc(COC)nc2C)c(C)n1
InChIInChI=1S/C22H25N5OS/c1-5-27-11-18(15(2)25-27)22-21(17-9-7-6-8-10-17)23-14-26(22)12-19-16(3)24-20(29-19)13-28-4/h6-11,14H,5,12-13H2,1-4H3
InChIKeyDSUNHEMQHZQXRO-UHFFFAOYSA-N
XLogP4.70
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole (CID 50964725) is 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole is CCn1cc(-c2c(-c3ccccc3)ncn2Cc2sc(COC)nc2C)c(C)n1.
What is the InChIKey of 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole?
The InChIKey is DSUNHEMQHZQXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-5-27-11-18(15(2)25-27)22-21(17-9-7-6-8-10-17)23-14-26(22)12-19-16(3)24-20(29-19)13-28-4/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole?
5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole has a molecular weight of 407.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 50964725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).