5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride

C7H7ClN4S — CID 3053595

IUPAC5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C7H6N4S.ClH/c8-7-11-10-6(12-7)5-1-3-9-4-2-5;/h1-4H,(H2,8,11);1H
InChIKeyNFCDLXCGBKYWPY-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.60
Rot. Bonds1

About 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride

5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 3053595) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID3053595
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C7H6N4S.ClH/c8-7-11-10-6(12-7)5-1-3-9-4-2-5;/h1-4H,(H2,8,11);1H
InChIKeyNFCDLXCGBKYWPY-UHFFFAOYSA-N
XLogP1.60
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride (CID 3053595) is 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is NFCDLXCGBKYWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S.ClH/c8-7-11-10-6(12-7)5-1-3-9-4-2-5;/h1-4H,(H2,8,11);1H.
What are the key properties of 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride?
5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 214.68 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 3053595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).