3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

C16H18N4OS2 — CID 70975219

IUPAC3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(Cc2nsc(NCCc3nc(C)cs3)n2)c1
InChIInChI=1S/C16H18N4OS2/c1-11-10-22-15(18-11)6-7-17-16-19-14(20-23-16)9-12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19,20)
InChIKeyMZIBIHPIPANWAG-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.56
Rot. Bonds7

About 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 70975219) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID70975219
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(Cc2nsc(NCCc3nc(C)cs3)n2)c1
InChIInChI=1S/C16H18N4OS2/c1-11-10-22-15(18-11)6-7-17-16-19-14(20-23-16)9-12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19,20)
InChIKeyMZIBIHPIPANWAG-UHFFFAOYSA-N
XLogP3.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269206
4-methoxy-N-[3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propyl]benzenesulfonamide
CID 59362047
4-methoxy-N-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]benzamide
CID 90685898
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269268
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111251714
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 3946128
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-N-(2-methylpropyl)benzamide
CID 5205456
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274494

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 70975219) is 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is COc1cccc(Cc2nsc(NCCc3nc(C)cs3)n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MZIBIHPIPANWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-10-22-15(18-11)6-7-17-16-19-14(20-23-16)9-12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,19,20).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 346.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 70975219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).