3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine

C15H13N3OS — CID 163323031

IUPAC3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(Nc3ccccc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-9-5-6-11(10-13)14-17-15(20-18-14)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)
InChIKeyDMOKWONMFSHIAK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine

3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 163323031) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID163323031
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(Nc3ccccc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-9-5-6-11(10-13)14-17-15(20-18-14)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)
InChIKeyDMOKWONMFSHIAK-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15980696
3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
1-{5-[(4-Methoxyphenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one
CID 756524
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71582801
1,2,4-Thiadiazolium, 5-amino-3-(4-methoxyphenyl)-2-phenyl-
CID 482604
5-Amino-3-(4-methoxyphenyl)-2-phenyl-1,2,4-tiadiazolium chloride
CID 9840052
1-(4-Methoxy-phenyl)-3-(3-phenyl-[1,2,4]thiadiazol-5-yl)-urea
CID 10758495
2-benzyl-N-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine chloride
CID 15317369
N-(4-ethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686709
3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 71686714
N3-[(E)-benzylideneamino]-N5-(4-methoxyphenyl)-1,2,4-thiadiazole-3,5-diamine
CID 162663488

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine (CID 163323031) is 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine is COc1cccc(-c2nsc(Nc3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DMOKWONMFSHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-13-9-5-6-11(10-13)14-17-15(20-18-14)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine?
3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163323031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).