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

C20H22N4OS — CID 100665927

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccccc3CN3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-6-16(7-3-1)19-22-20(26-23-19)21-14-17-8-4-5-9-18(17)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23)
InChIKeyUYVHOWRKGDSPBG-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.65
Rot. Bonds6

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

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 100665927) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID100665927
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NCc3ccccc3CN3CCOCC3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-2-6-16(7-3-1)19-22-20(26-23-19)21-14-17-8-4-5-9-18(17)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23)
InChIKeyUYVHOWRKGDSPBG-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875113
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
1-(2-hydroxyethyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 167858135
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133484583
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-3-phenyl-1,2,4-thiadiazol-5-amine
CID 154859937
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552737
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 100665927) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NCc3ccccc3CN3CCOCC3)n2)cc1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UYVHOWRKGDSPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-6-16(7-3-1)19-22-20(26-23-19)21-14-17-8-4-5-9-18(17)15-24-10-12-25-13-11-24/h1-9H,10-15H2,(H,21,22,23).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[[2-(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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 100665927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).