[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol

C13H24N2OS — CID 62779812

IUPAC[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCN(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C13H24N2OS/c1-6-7-8-15(5)12-14-11(13(2,3)4)10(9-16)17-12/h16H,6-9H2,1-5H3
InChIKeyZYWMVXGDFMFYRJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.17
Rot. Bonds5

About [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62779812) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62779812
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCCCN(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C13H24N2OS/c1-6-7-8-15(5)12-14-11(13(2,3)4)10(9-16)17-12/h16H,6-9H2,1-5H3
InChIKeyZYWMVXGDFMFYRJ-UHFFFAOYSA-N
XLogP3.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol 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 [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol (CID 62779812) is [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol is CCCCN(C)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is ZYWMVXGDFMFYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-7-8-15(5)12-14-11(13(2,3)4)10(9-16)17-12/h16H,6-9H2,1-5H3.
What are the key properties of [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 256.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62779812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).