4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol

C12H14N2OS — CID 115040294

IUPAC4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESNCCC(c1ccc(O)cc1)c1nccs1
InChIInChI=1S/C12H14N2OS/c13-6-5-11(12-14-7-8-16-12)9-1-3-10(15)4-2-9/h1-4,7-8,11,15H,5-6,13H2
InChIKeyCVJIREUOEFSNAF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.33
Rot. Bonds4

About 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol

4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol (PubChem CID 115040294) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol.

Molecular Properties

Compound Name4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol
PubChem CID115040294
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol
SMILESNCCC(c1ccc(O)cc1)c1nccs1
InChIInChI=1S/C12H14N2OS/c13-6-5-11(12-14-7-8-16-12)9-1-3-10(15)4-2-9/h1-4,7-8,11,15H,5-6,13H2
InChIKeyCVJIREUOEFSNAF-UHFFFAOYSA-N
XLogP2.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
CID 115032136
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
2-(1,4-diphenylbutyl)-1,3-thiazole
CID 176916353
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
methyl 4-[1-(1,3-thiazol-2-yl)tridecyl]benzoate
CID 176916363
5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 67115711
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol?
The IUPAC name of 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol (CID 115040294) is 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol.
What is the SMILES notation for 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol?
The canonical SMILES for 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol is NCCC(c1ccc(O)cc1)c1nccs1.
What is the InChIKey of 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol?
The InChIKey is CVJIREUOEFSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-6-5-11(12-14-7-8-16-12)9-1-3-10(15)4-2-9/h1-4,7-8,11,15H,5-6,13H2.
What are the key properties of 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol?
4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol is sourced from PubChem (CID 115040294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).