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

C11H19ClN4O2S — CID 111916389

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nnsc1Cl)CC(O)CN1CCOCC1
InChIInChI=1S/C11H19ClN4O2S/c1-15(8-10-11(12)19-14-13-10)6-9(17)7-16-2-4-18-5-3-16/h9,17H,2-8H2,1H3
InChIKeyYLSTWCAYKYVLML-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.32
Rot. Bonds6

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

1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916389) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916389
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1nnsc1Cl)CC(O)CN1CCOCC1
InChIInChI=1S/C11H19ClN4O2S/c1-15(8-10-11(12)19-14-13-10)6-9(17)7-16-2-4-18-5-3-16/h9,17H,2-8H2,1H3
InChIKeyYLSTWCAYKYVLML-UHFFFAOYSA-N
XLogP0.32
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207534
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[3,3-dimethylbutyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916497
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111916389) is 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1nnsc1Cl)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is YLSTWCAYKYVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-15(8-10-11(12)19-14-13-10)6-9(17)7-16-2-4-18-5-3-16/h9,17H,2-8H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 306.82 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).