2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

C18H19ClN4OS — CID 155975143

IUPAC2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12
InChIInChI=1S/C18H19ClN4OS/c1-10-2-5-13(19)15-14(10)20-18(25-15)23-8-6-12(7-9-23)17-22-21-16(24-17)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyUVRDVVWKLSBPGD-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.90
Rot. Bonds3

About 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 155975143) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID155975143
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12
InChIInChI=1S/C18H19ClN4OS/c1-10-2-5-13(19)15-14(10)20-18(25-15)23-8-6-12(7-9-23)17-22-21-16(24-17)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyUVRDVVWKLSBPGD-UHFFFAOYSA-N
XLogP4.90
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (CID 155975143) is 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is Cc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12.
What is the InChIKey of 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is UVRDVVWKLSBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-10-2-5-13(19)15-14(10)20-18(25-15)23-8-6-12(7-9-23)17-22-21-16(24-17)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3.
What are the key properties of 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 374.90 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 155975143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).