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

C16H22N4O4S — CID 75434647

IUPAC3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(CNc2nc(N3CCOCC3)ns2)cc(OC)c1OC
InChIInChI=1S/C16H22N4O4S/c1-21-12-8-11(9-13(22-2)14(12)23-3)10-17-16-18-15(19-25-16)20-4-6-24-7-5-20/h8-9H,4-7,10H2,1-3H3,(H,17,18,19)
InChIKeyGUSPPOALCCSPHO-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.01
Rot. Bonds7

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

3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 75434647) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID75434647
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(CNc2nc(N3CCOCC3)ns2)cc(OC)c1OC
InChIInChI=1S/C16H22N4O4S/c1-21-12-8-11(9-13(22-2)14(12)23-3)10-17-16-18-15(19-25-16)20-4-6-24-7-5-20/h8-9H,4-7,10H2,1-3H3,(H,17,18,19)
InChIKeyGUSPPOALCCSPHO-UHFFFAOYSA-N
XLogP2.01
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75434648
N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75434649
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75392947
N-[[2,5-difluoro-4-(3-methoxy-5-methylphenoxy)phenyl]methyl]-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 147770669
4-Morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 162397415
6-chloro-2-N-cyclohexyl-4-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 59302716
4-N-cyclohexyl-2-N,2-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 91522342
N-[(3,4-dimethoxyphenyl)methyl]-N'-[3-(1lambda3-ioda-2,5-diazacyclopenta-3,5-dien-2-yl)-1,2,4-thiadiazol-5-yl]-N'-methylpropane-1,3-diamine
CID 143475223
1-(2-Morpholin-4-ium-4-ylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284092
1-(2-Morpholin-4-ylethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284093
1-(3-Morpholin-4-ium-4-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284100
1-(3-Morpholin-4-ylpropyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 9284101

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 75434647) is 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is COc1cc(CNc2nc(N3CCOCC3)ns2)cc(OC)c1OC.
What is the InChIKey of 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GUSPPOALCCSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-21-12-8-11(9-13(22-2)14(12)23-3)10-17-16-18-15(19-25-16)20-4-6-24-7-5-20/h8-9H,4-7,10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 366.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75434647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).