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

C10H11N3S — CID 6459689

IUPAC5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)11-10-13-12-8(2)14-10/h3-6H,1-2H3,(H,11,13)
InChIKeyHSJREVUIKVBBNT-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.90
Rot. Bonds2

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

5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 6459689) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID6459689
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(C)s2)cc1
InChIInChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)11-10-13-12-8(2)14-10/h3-6H,1-2H3,(H,11,13)
InChIKeyHSJREVUIKVBBNT-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459531
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 1301810
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
CID 3529063
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
3-methyl-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 130007374
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2589094
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9403203

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 6459689) is 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HSJREVUIKVBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)11-10-13-12-8(2)14-10/h3-6H,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 205.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6459689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).