2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol

C16H20N4OS — CID 24789407

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(C(CO)Nc2nc(C)cs2)nc2ccccc21
InChIInChI=1S/C16H20N4OS/c1-3-8-20-14-7-5-4-6-12(14)18-15(20)13(9-21)19-16-17-11(2)10-22-16/h4-7,10,13,21H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyOAPPARNKGPXLDF-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.36
Rot. Bonds6

About 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol

2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol (PubChem CID 24789407) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol
PubChem CID24789407
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(C(CO)Nc2nc(C)cs2)nc2ccccc21
InChIInChI=1S/C16H20N4OS/c1-3-8-20-14-7-5-4-6-12(14)18-15(20)13(9-21)19-16-17-11(2)10-22-16/h4-7,10,13,21H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyOAPPARNKGPXLDF-UHFFFAOYSA-N
XLogP3.36
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol (CID 24789407) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol is CCCn1c(C(CO)Nc2nc(C)cs2)nc2ccccc21.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol?
The InChIKey is OAPPARNKGPXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-8-20-14-7-5-4-6-12(14)18-15(20)13(9-21)19-16-17-11(2)10-22-16/h4-7,10,13,21H,3,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol?
2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol has a molecular weight of 316.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 24789407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).