5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine

C8H5ClIN3S — CID 130052776

IUPAC5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(Cl)c2I)s1
InChIInChI=1S/C8H5ClIN3S/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyXMUJQNAXQHHSGL-UHFFFAOYSA-N
MW337.57 g/mol
LogP3.05
Rot. Bonds1

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

5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130052776) has the molecular formula C8H5ClIN3S and a molecular weight of 337.57 g/mol. Its IUPAC name is 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID130052776
Molecular FormulaC8H5ClIN3S
Molecular Weight337.57 g/mol
Exact Mass336.89
IUPAC Name5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(Cl)c2I)s1
InChIInChI=1S/C8H5ClIN3S/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyXMUJQNAXQHHSGL-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 53.05
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-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 103863145
5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 135395752
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
5-(2-iodo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 130052770
2-(2,6-dichlorophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383350
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445741
2-(3-chloro-2-iodophenyl)pyridine
CID 11290028
1-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107101149
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine (CID 130052776) is 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(Cl)c2I)s1.
What is the InChIKey of 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XMUJQNAXQHHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClIN3S/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine?
5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 337.57 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).