3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole

C14H19N5S2 — CID 133391187

IUPAC3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)sc1C
InChIInChI=1S/C14H19N5S2/c1-9-10(2)20-13(15-9)18-5-7-19(8-6-18)14-16-12(17-21-14)11-3-4-11/h11H,3-8H2,1-2H3
InChIKeyVEMSPJXABCDOCF-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.82
Rot. Bonds3

About 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133391187) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133391187
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)sc1C
InChIInChI=1S/C14H19N5S2/c1-9-10(2)20-13(15-9)18-5-7-19(8-6-18)14-16-12(17-21-14)11-3-4-11/h11H,3-8H2,1-2H3
InChIKeyVEMSPJXABCDOCF-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 133391187) is 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nc(N2CCN(c3nc(C4CC4)ns3)CC2)sc1C.
What is the InChIKey of 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is VEMSPJXABCDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-9-10(2)20-13(15-9)18-5-7-19(8-6-18)14-16-12(17-21-14)11-3-4-11/h11H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 321.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133391187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).