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

C13H23N3O2S — CID 110898103

IUPAC1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncc(CN(C)CC(O)CN2CCOCC2)s1
InChIInChI=1S/C13H23N3O2S/c1-11-14-7-13(19-11)10-15(2)8-12(17)9-16-3-5-18-6-4-16/h7,12,17H,3-6,8-10H2,1-2H3
InChIKeyCLUXSCSFORBFCT-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.58
Rot. Bonds6

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

1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 110898103) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID110898103
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ncc(CN(C)CC(O)CN2CCOCC2)s1
InChIInChI=1S/C13H23N3O2S/c1-11-14-7-13(19-11)10-15(2)8-12(17)9-16-3-5-18-6-4-16/h7,12,17H,3-6,8-10H2,1-2H3
InChIKeyCLUXSCSFORBFCT-UHFFFAOYSA-N
XLogP0.58
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 110898103) is 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is Cc1ncc(CN(C)CC(O)CN2CCOCC2)s1.
What is the InChIKey of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CLUXSCSFORBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11-14-7-13(19-11)10-15(2)8-12(17)9-16-3-5-18-6-4-16/h7,12,17H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 110898103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).