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

C15H20N4O3S — CID 75434649

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(CNc2nc(N3CCOCC3)ns2)c1OC
InChIInChI=1S/C15H20N4O3S/c1-20-12-5-3-4-11(13(12)21-2)10-16-15-17-14(18-23-15)19-6-8-22-9-7-19/h3-5H,6-10H2,1-2H3,(H,16,17,18)
InChIKeyNHMYZEJSFZCTTH-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.00
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 75434649) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID75434649
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(CNc2nc(N3CCOCC3)ns2)c1OC
InChIInChI=1S/C15H20N4O3S/c1-20-12-5-3-4-11(13(12)21-2)10-16-15-17-14(18-23-15)19-6-8-22-9-7-19/h3-5H,6-10H2,1-2H3,(H,16,17,18)
InChIKeyNHMYZEJSFZCTTH-UHFFFAOYSA-N
XLogP2.00
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 75434647
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75434648
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75392947
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(2,3-dimethoxyphenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23787584
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(2,3-dimethoxyphenyl)methyl]-6-(2,3,4,5,6-pentafluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 24149343
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide
CID 15155387
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-[(2,3-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23816485
5-N-ethyl-1-methyl-5-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2,4-triazole-3,5-diamine
CID 70472706
5-N,1-dimethyl-5-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazole-3,5-diamine
CID 70474063
1-methyl-5-N-[[5-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,2,4-triazole-3,5-diamine
CID 70474067
4-N-(1,3-benzodioxol-4-ylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 89506565
2-N-(1,3-benzodioxol-4-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 89506591

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 75434649) is N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is COc1cccc(CNc2nc(N3CCOCC3)ns2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NHMYZEJSFZCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-20-12-5-3-4-11(13(12)21-2)10-16-15-17-14(18-23-15)19-6-8-22-9-7-19/h3-5H,6-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 336.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75434649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).