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

C9H8IN3S — CID 103863145

IUPAC5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(-c2nnc(N)s2)c1I
InChIInChI=1S/C9H8IN3S/c1-5-3-2-4-6(7(5)10)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyWHPQAMIIHGPSQP-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.70
Rot. Bonds1

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

5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103863145) has the molecular formula C9H8IN3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID103863145
Molecular FormulaC9H8IN3S
Molecular Weight317.16 g/mol
Exact Mass316.95
IUPAC Name5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(-c2nnc(N)s2)c1I
InChIInChI=1S/C9H8IN3S/c1-5-3-2-4-6(7(5)10)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyWHPQAMIIHGPSQP-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
CID 130052776
1-[5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114029802
5-(2-iodo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 130052770
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 126478186
5-(1-benzothiophen-7-yl)-1,3,4-thiadiazol-2-amine
CID 81146884
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 21326067
5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463033
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanamine
CID 81480566

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 103863145) is 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cccc(-c2nnc(N)s2)c1I.
What is the InChIKey of 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WHPQAMIIHGPSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3S/c1-5-3-2-4-6(7(5)10)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 317.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103863145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).