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

C16H15N3S — CID 133316558

IUPACN-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCc1cccc(CNc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C16H15N3S/c1-12-6-5-7-13(10-12)11-17-16-18-15(19-20-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyKNMJPLZHVKGLPY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds4

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

N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133316558) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133316558
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCc1cccc(CNc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C16H15N3S/c1-12-6-5-7-13(10-12)11-17-16-18-15(19-20-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyKNMJPLZHVKGLPY-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133317329
3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 133407141
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
N-[[4-(dimethylamino)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875112
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133411419
N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310369
N-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133319644
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133316558) is N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is Cc1cccc(CNc2nc(-c3ccccc3)ns2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KNMJPLZHVKGLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-6-5-7-13(10-12)11-17-16-18-15(19-20-16)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 281.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133316558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).