2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol

C18H26N2OS — CID 70746827

IUPAC2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol
SMILESCC(c1nccs1)N(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C18H26N2OS/c1-14(17-19-11-12-22-17)20(4)13-16-7-5-15(6-8-16)9-10-18(2,3)21/h5-8,11-12,14,21H,9-10,13H2,1-4H3
InChIKeyZELPAHONCFWXBF-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.04
Rot. Bonds7

About 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol

2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol (PubChem CID 70746827) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol
PubChem CID70746827
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol
SMILESCC(c1nccs1)N(C)Cc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C18H26N2OS/c1-14(17-19-11-12-22-17)20(4)13-16-7-5-15(6-8-16)9-10-18(2,3)21/h5-8,11-12,14,21H,9-10,13H2,1-4H3
InChIKeyZELPAHONCFWXBF-UHFFFAOYSA-N
XLogP4.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol (CID 70746827) is 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol is CC(c1nccs1)N(C)Cc1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
The InChIKey is ZELPAHONCFWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-14(17-19-11-12-22-17)20(4)13-16-7-5-15(6-8-16)9-10-18(2,3)21/h5-8,11-12,14,21H,9-10,13H2,1-4H3.
What are the key properties of 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol has a molecular weight of 318.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]butan-2-ol is sourced from PubChem (CID 70746827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).