2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol

C12H17N3OS — CID 63977353

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1C(O)Cc1csc(C)n1
InChIInChI=1S/C12H17N3OS/c1-3-5-15-6-4-13-12(15)11(16)7-10-8-17-9(2)14-10/h4,6,8,11,16H,3,5,7H2,1-2H3
InChIKeyOASNHFOGRJGJDJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol

2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol (PubChem CID 63977353) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol
PubChem CID63977353
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1C(O)Cc1csc(C)n1
InChIInChI=1S/C12H17N3OS/c1-3-5-15-6-4-13-12(15)11(16)7-10-8-17-9(2)14-10/h4,6,8,11,16H,3,5,7H2,1-2H3
InChIKeyOASNHFOGRJGJDJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol (CID 63977353) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1C(O)Cc1csc(C)n1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol?
The InChIKey is OASNHFOGRJGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-5-15-6-4-13-12(15)11(16)7-10-8-17-9(2)14-10/h4,6,8,11,16H,3,5,7H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol has a molecular weight of 251.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 63977353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).