[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine

C8H7ClN4S — CID 66473705

IUPAC[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccncc2Cl)s1
InChIInChI=1S/C8H7ClN4S/c9-6-4-11-2-1-5(6)8-13-12-7(3-10)14-8/h1-2,4H,3,10H2
InChIKeyPOPCMZNKGLSAOE-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.71
Rot. Bonds2

About [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 66473705) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID66473705
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccncc2Cl)s1
InChIInChI=1S/C8H7ClN4S/c9-6-4-11-2-1-5(6)8-13-12-7(3-10)14-8/h1-2,4H,3,10H2
InChIKeyPOPCMZNKGLSAOE-UHFFFAOYSA-N
XLogP1.71
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 66473705) is [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(-c2ccncc2Cl)s1.
What is the InChIKey of [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is POPCMZNKGLSAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-6-4-11-2-1-5(6)8-13-12-7(3-10)14-8/h1-2,4H,3,10H2.
What are the key properties of [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 226.69 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 66473705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).