2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol

C13H23N3O2S — CID 111468248

IUPAC2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncsc1CNCC(C)(O)CN1CCOCC1
InChIInChI=1S/C13H23N3O2S/c1-11-12(19-10-15-11)7-14-8-13(2,17)9-16-3-5-18-6-4-16/h10,14,17H,3-9H2,1-2H3
InChIKeyFQBNVDGBNDOOFQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.62
Rot. Bonds6

About 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol

2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468248) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111468248
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncsc1CNCC(C)(O)CN1CCOCC1
InChIInChI=1S/C13H23N3O2S/c1-11-12(19-10-15-11)7-14-8-13(2,17)9-16-3-5-18-6-4-16/h10,14,17H,3-9H2,1-2H3
InChIKeyFQBNVDGBNDOOFQ-UHFFFAOYSA-N
XLogP0.62
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111468248) is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol is Cc1ncsc1CNCC(C)(O)CN1CCOCC1.
What is the InChIKey of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is FQBNVDGBNDOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11-12(19-10-15-11)7-14-8-13(2,17)9-16-3-5-18-6-4-16/h10,14,17H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol?
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).