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

C18H22N4OS — CID 56918678

IUPAC2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4OS/c1-14-16(11-22(20-14)8-9-23)10-21(2)12-17-13-24-18(19-17)15-6-4-3-5-7-15/h3-7,11,13,23H,8-10,12H2,1-2H3
InChIKeyYOOUCGLWTXTEGZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.94
Rot. Bonds7

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

2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 56918678) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID56918678
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H22N4OS/c1-14-16(11-22(20-14)8-9-23)10-21(2)12-17-13-24-18(19-17)15-6-4-3-5-7-15/h3-7,11,13,23H,8-10,12H2,1-2H3
InChIKeyYOOUCGLWTXTEGZ-UHFFFAOYSA-N
XLogP2.94
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol (CID 56918678) is 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN(C)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is YOOUCGLWTXTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-14-16(11-22(20-14)8-9-23)10-21(2)12-17-13-24-18(19-17)15-6-4-3-5-7-15/h3-7,11,13,23H,8-10,12H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 342.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56918678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).