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

C12H17N5S2 — CID 154580617

IUPAC3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
SMILESCc1nc(C)c(CN2CCN(c3cnsn3)CC2)s1
InChIInChI=1S/C12H17N5S2/c1-9-11(18-10(2)14-9)8-16-3-5-17(6-4-16)12-7-13-19-15-12/h7H,3-6,8H2,1-2H3
InChIKeyLMOSARNNGVSVSI-UHFFFAOYSA-N
MW295.44 g/mol
LogP1.93
Rot. Bonds3

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

3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole (PubChem CID 154580617) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
PubChem CID154580617
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
SMILESCc1nc(C)c(CN2CCN(c3cnsn3)CC2)s1
InChIInChI=1S/C12H17N5S2/c1-9-11(18-10(2)14-9)8-16-3-5-17(6-4-16)12-7-13-19-15-12/h7H,3-6,8H2,1-2H3
InChIKeyLMOSARNNGVSVSI-UHFFFAOYSA-N
XLogP1.93
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 155975428
2,4-dimethyl-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027048
2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 154583028
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009
2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155942124
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 166601215
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
2,4-dimethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 154885612
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
CID 154583258
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344591
(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514028

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole (CID 154580617) is 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole is Cc1nc(C)c(CN2CCN(c3cnsn3)CC2)s1.
What is the InChIKey of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole?
The InChIKey is LMOSARNNGVSVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-9-11(18-10(2)14-9)8-16-3-5-17(6-4-16)12-7-13-19-15-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole?
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole has a molecular weight of 295.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 154580617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).