1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

C18H26N2O2S — CID 111496556

IUPAC1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC(C)(C)c2nccs2)c1C
InChIInChI=1S/C18H26N2O2S/c1-12-6-7-13(2)16(14(12)3)22-11-15(21)10-20-18(4,5)17-19-8-9-23-17/h6-9,15,20-21H,10-11H2,1-5H3
InChIKeyZLHNIKASYPSANJ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.33
Rot. Bonds7

About 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (PubChem CID 111496556) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
PubChem CID111496556
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC(C)(C)c2nccs2)c1C
InChIInChI=1S/C18H26N2O2S/c1-12-6-7-13(2)16(14(12)3)22-11-15(21)10-20-18(4,5)17-19-8-9-23-17/h6-9,15,20-21H,10-11H2,1-5H3
InChIKeyZLHNIKASYPSANJ-UHFFFAOYSA-N
XLogP3.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714641
1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828788
1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
CID 111565157
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
1-(1,2,4-triazol-4-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110877250
1-(pentan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 3992440
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol
CID 103601368
N-[(4-methyl-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103828799

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (CID 111496556) is 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CNC(C)(C)c2nccs2)c1C.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The InChIKey is ZLHNIKASYPSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-12-6-7-13(2)16(14(12)3)22-11-15(21)10-20-18(4,5)17-19-8-9-23-17/h6-9,15,20-21H,10-11H2,1-5H3.
What are the key properties of 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol has a molecular weight of 334.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 111496556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).