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

C13H22N2O2S — CID 61280895

IUPAC1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COC2CCCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10-15-11(9-18-10)6-14-7-12(16)8-17-13-4-2-3-5-13/h9,12-14,16H,2-8H2,1H3
InChIKeyXVBLRBZLNDVLCJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.86
Rot. Bonds7

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

1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol (PubChem CID 61280895) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
PubChem CID61280895
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COC2CCCC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10-15-11(9-18-10)6-14-7-12(16)8-17-13-4-2-3-5-13/h9,12-14,16H,2-8H2,1H3
InChIKeyXVBLRBZLNDVLCJ-UHFFFAOYSA-N
XLogP1.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-cyclopentyloxy-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 78974797
1-cyclopentyloxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989836
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62119183
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol (CID 61280895) is 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol is Cc1nc(CNCC(O)COC2CCCC2)cs1.
What is the InChIKey of 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The InChIKey is XVBLRBZLNDVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-15-11(9-18-10)6-14-7-12(16)8-17-13-4-2-3-5-13/h9,12-14,16H,2-8H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol has a molecular weight of 270.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61280895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).