(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H18ClN3OS — CID 17250311

IUPAC(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C19H18ClN3OS/c1-13-5-6-14-15(12-13)25-18(17(14)20)19(24)23-10-8-22(9-11-23)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3
InChIKeyKQQLUYASCKKICO-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.22
Rot. Bonds2

About (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 17250311) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID17250311
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C19H18ClN3OS/c1-13-5-6-14-15(12-13)25-18(17(14)20)19(24)23-10-8-22(9-11-23)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3
InChIKeyKQQLUYASCKKICO-UHFFFAOYSA-N
XLogP4.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

azepan-1-yl-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
CID 693034
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398251
(3-chloro-1-benzothiophen-2-yl)-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41116480
7-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one
CID 175651576
(3-chloro-6-methyl-1-benzothiophen-2-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27764428
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3660331
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 17250311) is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccccn4)CC3)sc2c1.
What is the InChIKey of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KQQLUYASCKKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-13-5-6-14-15(12-13)25-18(17(14)20)19(24)23-10-8-22(9-11-23)16-4-2-3-7-21-16/h2-7,12H,8-11H2,1H3.
What are the key properties of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 371.89 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 17250311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).