1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol

C18H22N6OS — CID 14099732

IUPAC1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N6OS/c1-13-16(22-17(21-13)14-3-2-4-19-11-14)15(25)12-23-6-8-24(9-7-23)18-20-5-10-26-18/h2-5,10-11,15,25H,6-9,12H2,1H3,(H,21,22)
InChIKeyLBIWAAQWKLRDRR-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.09
Rot. Bonds5

About 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol

1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 14099732) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID14099732
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N6OS/c1-13-16(22-17(21-13)14-3-2-4-19-11-14)15(25)12-23-6-8-24(9-7-23)18-20-5-10-26-18/h2-5,10-11,15,25H,6-9,12H2,1H3,(H,21,22)
InChIKeyLBIWAAQWKLRDRR-UHFFFAOYSA-N
XLogP2.09
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol (CID 14099732) is 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol is Cc1[nH]c(-c2cccnc2)nc1C(O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is LBIWAAQWKLRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13-16(22-17(21-13)14-3-2-4-19-11-14)15(25)12-23-6-8-24(9-7-23)18-20-5-10-26-18/h2-5,10-11,15,25H,6-9,12H2,1H3,(H,21,22).
What are the key properties of 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 370.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 14099732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).