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

C7H5ClN4S — CID 135395752

IUPAC5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2Cl)s1
InChIInChI=1S/C7H5ClN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyLJOMKIKBDOQFDU-UHFFFAOYSA-N
MW212.67 g/mol
LogP1.84
Rot. Bonds1

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

5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 135395752) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID135395752
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC Name5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2Cl)s1
InChIInChI=1S/C7H5ClN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyLJOMKIKBDOQFDU-UHFFFAOYSA-N
XLogP1.84
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 135394700
5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
CID 130052776
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
5-(5-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 118385618
4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
CID 130049220
4-(2-chloro-5-fluorophenyl)pyridin-3-amine
CID 105395669
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 126478186
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528730
5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 63080140

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 135395752) is 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cnccc2Cl)s1.
What is the InChIKey of 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LJOMKIKBDOQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12).
What are the key properties of 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.67 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135395752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).