5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole

C10H13ClN6S2 — CID 71925308

IUPAC5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole
SMILESCc1nsc(N2CCN(Cc3nnsc3Cl)CC2)n1
InChIInChI=1S/C10H13ClN6S2/c1-7-12-10(19-14-7)17-4-2-16(3-5-17)6-8-9(11)18-15-13-8/h2-6H2,1H3
InChIKeyHNIKPPDCXBAKEM-UHFFFAOYSA-N
MW316.84 g/mol
LogP1.67
Rot. Bonds3

About 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 71925308) has the molecular formula C10H13ClN6S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole
PubChem CID71925308
Molecular FormulaC10H13ClN6S2
Molecular Weight316.84 g/mol
Exact Mass316.03
IUPAC Name5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole
SMILESCc1nsc(N2CCN(Cc3nnsc3Cl)CC2)n1
InChIInChI=1S/C10H13ClN6S2/c1-7-12-10(19-14-7)17-4-2-16(3-5-17)6-8-9(11)18-15-13-8/h2-6H2,1H3
InChIKeyHNIKPPDCXBAKEM-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole (CID 71925308) is 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole is Cc1nsc(N2CCN(Cc3nnsc3Cl)CC2)n1.
What is the InChIKey of 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is HNIKPPDCXBAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6S2/c1-7-12-10(19-14-7)17-4-2-16(3-5-17)6-8-9(11)18-15-13-8/h2-6H2,1H3.
What are the key properties of 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 316.84 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 71925308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).