(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

C17H19N3O2S — CID 138995245

IUPAC(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cncs3)CC2)cc1
InChIInChI=1S/C17H19N3O2S/c1-2-13-3-5-14(6-4-13)16(21)19-7-9-20(10-8-19)17(22)15-11-18-12-23-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyIAZCBUSZLQCKPV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.30
Rot. Bonds3

About (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 138995245) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID138995245
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3cncs3)CC2)cc1
InChIInChI=1S/C17H19N3O2S/c1-2-13-3-5-14(6-4-13)16(21)19-7-9-20(10-8-19)17(22)15-11-18-12-23-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyIAZCBUSZLQCKPV-UHFFFAOYSA-N
XLogP2.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
(4-ethylphenyl)-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 32770850
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47025132
2-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975159
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
CID 119729984
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46592446

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (CID 138995245) is (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)c3cncs3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is IAZCBUSZLQCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-13-3-5-14(6-4-13)16(21)19-7-9-20(10-8-19)17(22)15-11-18-12-23-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 329.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 138995245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).