(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone

C16H19N3OS — CID 44535165

IUPAC(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C16H19N3OS/c1-13-2-4-14(5-3-13)16(20)19-9-7-18(8-10-19)12-15-17-6-11-21-15/h2-6,11H,7-10,12H2,1H3
InChIKeyHYRSJXJBQJYCBQ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.41
Rot. Bonds3

About (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 44535165) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID44535165
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C16H19N3OS/c1-13-2-4-14(5-3-13)16(20)19-9-7-18(8-10-19)12-15-17-6-11-21-15/h2-6,11H,7-10,12H2,1H3
InChIKeyHYRSJXJBQJYCBQ-UHFFFAOYSA-N
XLogP2.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone (CID 44535165) is (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3nccs3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HYRSJXJBQJYCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-13-2-4-14(5-3-13)16(20)19-9-7-18(8-10-19)12-15-17-6-11-21-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 301.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 44535165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).