4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

C17H20N4OS2 — CID 155799116

IUPAC4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(Cc4csc(C)n4)CC3)nc12
InChIInChI=1S/C17H20N4OS2/c1-12-18-13(11-23-12)10-20-6-8-21(9-7-20)17-19-16-14(22-2)4-3-5-15(16)24-17/h3-5,11H,6-10H2,1-2H3
InChIKeyODTPJVSKNWXQQX-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.39
Rot. Bonds4

About 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole

4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (PubChem CID 155799116) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
PubChem CID155799116
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCN(Cc4csc(C)n4)CC3)nc12
InChIInChI=1S/C17H20N4OS2/c1-12-18-13(11-23-12)10-20-6-8-21(9-7-20)17-19-16-14(22-2)4-3-5-15(16)24-17/h3-5,11H,6-10H2,1-2H3
InChIKeyODTPJVSKNWXQQX-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole (CID 155799116) is 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is COc1cccc2sc(N3CCN(Cc4csc(C)n4)CC3)nc12.
What is the InChIKey of 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is ODTPJVSKNWXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-12-18-13(11-23-12)10-20-6-8-21(9-7-20)17-19-16-14(22-2)4-3-5-15(16)24-17/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole?
4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 360.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 155799116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).