2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol

C13H16N2OS — CID 115089282

IUPAC2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol
SMILESCC(CN)c1csc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2OS/c1-9(7-14)11-8-17-13(15-11)6-10-4-2-3-5-12(10)16/h2-5,8-9,16H,6-7,14H2,1H3
InChIKeyUOZIYOKRBRJZNK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.50
Rot. Bonds4

About 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol

2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol (PubChem CID 115089282) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol
PubChem CID115089282
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol
SMILESCC(CN)c1csc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2OS/c1-9(7-14)11-8-17-13(15-11)6-10-4-2-3-5-12(10)16/h2-5,8-9,16H,6-7,14H2,1H3
InChIKeyUOZIYOKRBRJZNK-UHFFFAOYSA-N
XLogP2.50
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285
2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089202
2-[(2-bromophenyl)methyl]-1,3-thiazol-4-ol
CID 130501496
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415638
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine
CID 82598532
4-butan-2-yl-2-(thiophen-2-ylmethyl)-1,3-thiazole
CID 115686489
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol (CID 115089282) is 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol is CC(CN)c1csc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol?
The InChIKey is UOZIYOKRBRJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(7-14)11-8-17-13(15-11)6-10-4-2-3-5-12(10)16/h2-5,8-9,16H,6-7,14H2,1H3.
What are the key properties of 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol?
2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-aminopropan-2-yl)-1,3-thiazol-2-yl]methyl]phenol is sourced from PubChem (CID 115089282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).