(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C11H20N2O2S — CID 164630506

IUPAC(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN(C)Cc1nccs1
InChIInChI=1S/C11H20N2O2S/c1-9(2)15-8-10(14)6-13(3)7-11-12-4-5-16-11/h4-5,9-10,14H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyVVYIONRPDQHXMD-JTQLQIEISA-N
MW244.36 g/mol
LogP1.36
Rot. Bonds7

About (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 164630506) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID164630506
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN(C)Cc1nccs1
InChIInChI=1S/C11H20N2O2S/c1-9(2)15-8-10(14)6-13(3)7-11-12-4-5-16-11/h4-5,9-10,14H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyVVYIONRPDQHXMD-JTQLQIEISA-N
XLogP1.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tazolol
CID 71721
Tazolol Hydrochloride
CID 71720
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
2-Methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol
CID 75482678
(S)-1-(Isopropylamino)-3-(2-thiazolyloxy)-2-propanol
CID 76960352
(R)-1-(Isopropylamino)-3-(2-thiazolyloxy)-2-propanol
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1,1,1-Trifluoro-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
CID 109968250
2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole
CID 137630848
8-(2-Methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072858
1-Octadecoxy-3-(1,3-thiazol-3-ium-3-yl)propan-2-ol iodide
CID 19965952
1-Octadecoxy-3-(1,3-thiazol-3-ium-3-yl)propan-2-ol
CID 19965953
1-(Tert-butylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol
CID 20289588

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 164630506) is (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CN(C)Cc1nccs1.
What is the InChIKey of (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VVYIONRPDQHXMD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(2)15-8-10(14)6-13(3)7-11-12-4-5-16-11/h4-5,9-10,14H,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 164630506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).