5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine

C12H15N3S — CID 6459531

IUPAC5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(C)s2)c(C)c1
InChIInChI=1S/C12H15N3S/c1-7-5-8(2)11(9(3)6-7)13-12-15-14-10(4)16-12/h5-6H,1-4H3,(H,13,15)
InChIKeyYUTZSRFVEDCKHJ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.52
Rot. Bonds2

About 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 6459531) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID6459531
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(C)s2)c(C)c1
InChIInChI=1S/C12H15N3S/c1-7-5-8(2)11(9(3)6-7)13-12-15-14-10(4)16-12/h5-6H,1-4H3,(H,13,15)
InChIKeyYUTZSRFVEDCKHJ-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 82485718
5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459689
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-methyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 9154510
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 27063016
N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 3620321
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
N-[5-(2,3,4,6-tetramethylanilino)-1,3,4-thiadiazol-2-yl]acetamide
CID 122650282
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
4-ethyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 82065165

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine (CID 6459531) is 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cc(C)c(Nc2nnc(C)s2)c(C)c1.
What is the InChIKey of 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YUTZSRFVEDCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-7-5-8(2)11(9(3)6-7)13-12-15-14-10(4)16-12/h5-6H,1-4H3,(H,13,15).
What are the key properties of 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6459531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).