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

C16H20F2N6OS — CID 154828957

IUPAC5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H20F2N6OS/c1-25-9-12-20-16(26-22-12)24-6-4-23(5-7-24)13-8-11(14(17)18)19-15(21-13)10-2-3-10/h8,10,14H,2-7,9H2,1H3
InChIKeyXSXLWUAGIGHEGV-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.62
Rot. Bonds6

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

5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 154828957) has the molecular formula C16H20F2N6OS and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID154828957
Molecular FormulaC16H20F2N6OS
Molecular Weight382.44 g/mol
Exact Mass382.14
IUPAC Name5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H20F2N6OS/c1-25-9-12-20-16(26-22-12)24-6-4-23(5-7-24)13-8-11(14(17)18)19-15(21-13)10-2-3-10/h8,10,14H,2-7,9H2,1H3
InChIKeyXSXLWUAGIGHEGV-UHFFFAOYSA-N
XLogP2.62
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-5-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 154882638
3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 154829111
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
5-[4-(6-tert-butyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154882754
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352350
5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133448681
5-cyclopropyl-3-[[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 155974648
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171335535
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155980257
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 154828957) is 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)n1.
What is the InChIKey of 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is XSXLWUAGIGHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6OS/c1-25-9-12-20-16(26-22-12)24-6-4-23(5-7-24)13-8-11(14(17)18)19-15(21-13)10-2-3-10/h8,10,14H,2-7,9H2,1H3.
What are the key properties of 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 382.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 154828957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).