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

C13H20F3N3O2S — CID 111613425

IUPAC1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(C(F)(F)F)cs1)CC(O)CN1CCOCC1
InChIInChI=1S/C13H20F3N3O2S/c1-18(6-10(20)7-19-2-4-21-5-3-19)8-12-17-11(9-22-12)13(14,15)16/h9-10,20H,2-8H2,1H3
InChIKeyKTLHMCQCCWXYFD-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.29
Rot. Bonds6

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

1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111613425) has the molecular formula C13H20F3N3O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111613425
Molecular FormulaC13H20F3N3O2S
Molecular Weight339.38 g/mol
Exact Mass339.12
IUPAC Name1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nc(C(F)(F)F)cs1)CC(O)CN1CCOCC1
InChIInChI=1S/C13H20F3N3O2S/c1-18(6-10(20)7-19-2-4-21-5-3-19)8-12-17-11(9-22-12)13(14,15)16/h9-10,20H,2-8H2,1H3
InChIKeyKTLHMCQCCWXYFD-UHFFFAOYSA-N
XLogP1.29
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 111613425) is 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1nc(C(F)(F)F)cs1)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KTLHMCQCCWXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2S/c1-18(6-10(20)7-19-2-4-21-5-3-19)8-12-17-11(9-22-12)13(14,15)16/h9-10,20H,2-8H2,1H3.
What are the key properties of 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 339.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111613425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).