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

C12H15N3S — CID 115924876

IUPACN-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(C)c(CNc2nc(C)ns2)c1
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(2)11(6-8)7-13-12-14-10(3)15-16-12/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyJFOWQATZROUNTD-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.08
Rot. Bonds3

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

N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 115924876) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID115924876
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(C)c(CNc2nc(C)ns2)c1
InChIInChI=1S/C12H15N3S/c1-8-4-5-9(2)11(6-8)7-13-12-14-10(3)15-16-12/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyJFOWQATZROUNTD-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924904
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267667
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 130007374
N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318630
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 115924876) is N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1ccc(C)c(CNc2nc(C)ns2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JFOWQATZROUNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-4-5-9(2)11(6-8)7-13-12-14-10(3)15-16-12/h4-6H,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 233.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115924876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).