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

C9H9N3S — CID 605582

IUPAC5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3S/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyZLDPCNCAFSBFCX-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.10
Rot. Bonds1

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

5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 605582) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID605582
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3S/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)
InChIKeyZLDPCNCAFSBFCX-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.10
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
5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 741059
5-[(2-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 741058
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 605582) is 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZLDPCNCAFSBFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-2-4-7(5-3-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 605582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).