3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

C18H24N6S — CID 154829111

IUPAC3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-14-11-15(20-16(19-14)12-3-4-12)23-7-9-24(10-8-23)18-21-17(22-25-18)13-5-6-13/h11-13H,2-10H2,1H3
InChIKeyUSUCWEDCDSKTCB-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.97
Rot. Bonds5

About 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 154829111) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID154829111
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCCc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C2CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-14-11-15(20-16(19-14)12-3-4-12)23-7-9-24(10-8-23)18-21-17(22-25-18)13-5-6-13/h11-13H,2-10H2,1H3
InChIKeyUSUCWEDCDSKTCB-UHFFFAOYSA-N
XLogP2.97
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(6-tert-butyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154882754
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154582485
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957
2-cyclopropyl-4-ethyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154828961
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
3-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 154829187
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133391187
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 65272318
5-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993019
3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 155798609
2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163350619

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 154829111) is 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is CCc1cc(N2CCN(c3nc(C4CC4)ns3)CC2)nc(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is USUCWEDCDSKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-2-14-11-15(20-16(19-14)12-3-4-12)23-7-9-24(10-8-23)18-21-17(22-25-18)13-5-6-13/h11-13H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 356.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154829111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).