[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

C19H23N3OS — CID 110680601

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCc4ncsc4C3)CC2)c1
InChIInChI=1S/C19H23N3OS/c1-14-3-2-4-16(11-14)21-7-9-22(10-8-21)19(23)15-5-6-17-18(12-15)24-13-20-17/h2-4,11,13,15H,5-10,12H2,1H3
InChIKeyZULRZGHQCHLHMD-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.91
Rot. Bonds2

About [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 110680601) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
PubChem CID110680601
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCc4ncsc4C3)CC2)c1
InChIInChI=1S/C19H23N3OS/c1-14-3-2-4-16(11-14)21-7-9-22(10-8-21)19(23)15-5-6-17-18(12-15)24-13-20-17/h2-4,11,13,15H,5-10,12H2,1H3
InChIKeyZULRZGHQCHLHMD-UHFFFAOYSA-N
XLogP2.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone with MolForge

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680605
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680552
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
[4-(3-methylphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 84578391
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
(3,3-difluorocyclobutyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 154853506
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90639970

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (CID 110680601) is [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is Cc1cccc(N2CCN(C(=O)C3CCc4ncsc4C3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The InChIKey is ZULRZGHQCHLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-3-2-4-16(11-14)21-7-9-22(10-8-21)19(23)15-5-6-17-18(12-15)24-13-20-17/h2-4,11,13,15H,5-10,12H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 110680601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).