(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone

C19H19N3OS — CID 900719

IUPAC(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2s1
InChIInChI=1S/C19H19N3OS/c1-14-20-17-8-7-15(13-18(17)24-14)19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyUFGDFHYMYIQOHV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.57
Rot. Bonds2

About (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 900719) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID900719
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2s1
InChIInChI=1S/C19H19N3OS/c1-14-20-17-8-7-15(13-18(17)24-14)19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChIKeyUFGDFHYMYIQOHV-UHFFFAOYSA-N
XLogP3.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone (CID 900719) is (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2s1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is UFGDFHYMYIQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-20-17-8-7-15(13-18(17)24-14)19(23)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 337.45 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-6-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 900719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).