(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

C16H19N3OS — CID 84576731

IUPAC(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ns1
InChIInChI=1S/C16H19N3OS/c1-13-11-15(17-21-13)16(20)19-9-7-18(8-10-19)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQWAYNCFGRJYUDB-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.41
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 84576731) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID84576731
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ns1
InChIInChI=1S/C16H19N3OS/c1-13-11-15(17-21-13)16(20)19-9-7-18(8-10-19)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQWAYNCFGRJYUDB-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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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-1,2-thiazole-3-carboxamide
CID 44402935
[4-[(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 44457845
3-(3-Fluorophenyl)-5-(pyrrolidine-1-carbonyl)-1,2-thiazole
CID 53014946
1,2-Benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
1-(4-Fluorophenyl)-4-[3-(3-fluorophenyl)-1,2-thiazole-5-carbonyl]piperazine
CID 49666781
[3-(3-Fluorophenyl)-5-isothiazolyl](4-phenylpiperazino)methanone
CID 53169198
N-[1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclopropyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 132397087
N-[(1S)-1-[2-(dimethylamino)phenyl]ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 164632276
(3S)-3-benzyl-4-(5-methyl-1,2-thiazole-3-carbonyl)-1,4-diazepan-2-one
CID 164632682
(3S)-1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-3-sulfonamide
CID 164638502
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 19752282
N-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]propyl]-N-methyl-1,2-benzothiazole-3-carboxamide
CID 19880303

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (CID 84576731) is (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ns1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is QWAYNCFGRJYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-13-11-15(17-21-13)16(20)19-9-7-18(8-10-19)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-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-benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 84576731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).