2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole

C13H16N4OS2 — CID 163345458

IUPAC2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
SMILESc1csc(OC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C13H16N4OS2/c1-2-9(1)11-15-16-12(20-11)17-6-3-10(4-7-17)18-13-14-5-8-19-13/h5,8-10H,1-4,6-7H2
InChIKeyATIXXSHIAFIMCB-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.92
Rot. Bonds4

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

2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 163345458) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID163345458
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
SMILESc1csc(OC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C13H16N4OS2/c1-2-9(1)11-15-16-12(20-11)17-6-3-10(4-7-17)18-13-14-5-8-19-13/h5,8-10H,1-4,6-7H2
InChIKeyATIXXSHIAFIMCB-UHFFFAOYSA-N
XLogP2.92
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163348515
4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile
CID 71968120
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163345455
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126872877
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole (CID 163345458) is 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole is c1csc(OC2CCN(c3nnc(C4CC4)s3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is ATIXXSHIAFIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-2-9(1)11-15-16-12(20-11)17-6-3-10(4-7-17)18-13-14-5-8-19-13/h5,8-10H,1-4,6-7H2.
What are the key properties of 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 308.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 163345458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).