(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine

C15H19ClN4OS — CID 124777264

IUPAC(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCO[C@@H]([C@@H](NCc2csnn2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN4OS/c1-20-6-7-21-14(9-20)15(11-2-4-12(16)5-3-11)17-8-13-10-22-19-18-13/h2-5,10,14-15,17H,6-9H2,1H3/t14-,15+/m1/s1
InChIKeyZXVCCBDKDMUVHS-CABCVRRESA-N
MW338.86 g/mol
LogP2.35
Rot. Bonds5

About (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine

(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 124777264) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID124777264
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCO[C@@H]([C@@H](NCc2csnn2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN4OS/c1-20-6-7-21-14(9-20)15(11-2-4-12(16)5-3-11)17-8-13-10-22-19-18-13/h2-5,10,14-15,17H,6-9H2,1H3/t14-,15+/m1/s1
InChIKeyZXVCCBDKDMUVHS-CABCVRRESA-N
XLogP2.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 97253369
N-[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 99636385
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 86795755
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
CID 75437440
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 86795754
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
CID 124882189
[2-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 105244565
N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 97251834

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine (CID 124777264) is (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine is CN1CCO[C@@H]([C@@H](NCc2csnn2)c2ccc(Cl)cc2)C1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is ZXVCCBDKDMUVHS-CABCVRRESA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-20-6-7-21-14(9-20)15(11-2-4-12(16)5-3-11)17-8-13-10-22-19-18-13/h2-5,10,14-15,17H,6-9H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine?
(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 338.86 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 124777264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).