N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C20H22N4OS — CID 86875113

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-4-18(5-3-1)19-22-20(26-23-19)21-14-16-6-8-17(9-7-16)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23)
InChIKeyHIWCEJRJIPMULS-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.65
Rot. Bonds6

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 86875113) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID86875113
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-4-18(5-3-1)19-22-20(26-23-19)21-14-16-6-8-17(9-7-16)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23)
InChIKeyHIWCEJRJIPMULS-UHFFFAOYSA-N
XLogP3.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 100665927
N-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133319644
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 167858135
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 78851582
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 133407141
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133484583
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 86875113) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NCc3ccc(CN4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HIWCEJRJIPMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-4-18(5-3-1)19-22-20(26-23-19)21-14-16-6-8-17(9-7-16)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 366.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86875113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).