5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine

C10H11N3S — CID 744074

IUPAC5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)cc1C
InChIInChI=1S/C10H11N3S/c1-6-3-4-8(5-7(6)2)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyKCCCKMHLWSVWSA-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.40
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine

5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 744074) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID744074
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)cc1C
InChIInChI=1S/C10H11N3S/c1-6-3-4-8(5-7(6)2)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyKCCCKMHLWSVWSA-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 879437
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(1-Phenylethyl)-1,3,4-thiadiazol-2-amine
CID 2772302
2-Amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazole
CID 811160
5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
CID 3093785
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
5-Benzyl-1,3,4-thiadiazol-2-amine
CID 754823
N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 44571849

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine (CID 744074) is 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2nnc(N)s2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KCCCKMHLWSVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-3-4-8(5-7(6)2)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 205.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 744074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).