1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C15H20N2O2S — CID 61042993

IUPAC1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COc2ccccc2C)n1
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-4-6-14(11)19-9-13(18)7-16-8-15-17-12(2)10-20-15/h3-6,10,13,16,18H,7-9H2,1-2H3
InChIKeyRSHAVLDGIGHLLJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.29
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 61042993) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID61042993
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)COc2ccccc2C)n1
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-4-6-14(11)19-9-13(18)7-16-8-15-17-12(2)10-20-15/h3-6,10,13,16,18H,7-9H2,1-2H3
InChIKeyRSHAVLDGIGHLLJ-UHFFFAOYSA-N
XLogP2.29
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 61042993) is 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(O)COc2ccccc2C)n1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is RSHAVLDGIGHLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-5-3-4-6-14(11)19-9-13(18)7-16-8-15-17-12(2)10-20-15/h3-6,10,13,16,18H,7-9H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61042993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).