2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

C14H18N2OS — CID 116966807

IUPAC2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(C)c1ccc(-c2csc(C(O)CN)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-9(2)10-3-5-11(6-4-10)12-8-18-14(16-12)13(17)7-15/h3-6,8-9,13,17H,7,15H2,1-2H3
InChIKeyHUPOFVDIVCXUPL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966807) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966807
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(C)c1ccc(-c2csc(C(O)CN)n2)cc1
InChIInChI=1S/C14H18N2OS/c1-9(2)10-3-5-11(6-4-10)12-8-18-14(16-12)13(17)7-15/h3-6,8-9,13,17H,7,15H2,1-2H3
InChIKeyHUPOFVDIVCXUPL-UHFFFAOYSA-N
XLogP2.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966828
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967292
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
CID 141124885
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967295

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116966807) is 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is CC(C)c1ccc(-c2csc(C(O)CN)n2)cc1.
What is the InChIKey of 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is HUPOFVDIVCXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)10-3-5-11(6-4-10)12-8-18-14(16-12)13(17)7-15/h3-6,8-9,13,17H,7,15H2,1-2H3.
What are the key properties of 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).