1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol

C12H22N2O2S — CID 62016549

IUPAC1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C12H22N2O2S/c1-9(2)12-13-10(8-17-12)5-14(3)6-11(15)7-16-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyLCSRCJMNZLCUPT-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.71
Rot. Bonds7

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

1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 62016549) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
PubChem CID62016549
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C12H22N2O2S/c1-9(2)12-13-10(8-17-12)5-14(3)6-11(15)7-16-4/h8-9,11,15H,5-7H2,1-4H3
InChIKeyLCSRCJMNZLCUPT-UHFFFAOYSA-N
XLogP1.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 106991963
N-[4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62014404
2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
CID 115638035
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
methyl 3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoate
CID 72525208
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 59131480
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 118297816
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (CID 62016549) is 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is COCC(O)CN(C)Cc1csc(C(C)C)n1.
What is the InChIKey of 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is LCSRCJMNZLCUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(2)12-13-10(8-17-12)5-14(3)6-11(15)7-16-4/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 258.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62016549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).