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

C17H21N3OS — CID 47025132

IUPAC(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-14-3-5-15(6-4-14)17(21)20-9-7-19(8-10-20)11-16-12-22-13-18-16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyTZYQTBAHTIHSQR-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.66
Rot. Bonds4

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

(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 47025132) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID47025132
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C17H21N3OS/c1-2-14-3-5-15(6-4-14)17(21)20-9-7-19(8-10-20)11-16-12-22-13-18-16/h3-6,12-13H,2,7-11H2,1H3
InChIKeyTZYQTBAHTIHSQR-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
N-ethyl-4-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 86884047
3-methyl-4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]benzoic acid
CID 146143211
(6-methoxy-3-pyridinyl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56824064
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134010113
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 138034187
(4-ethylphenyl)-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 138995245
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 47025132) is (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is TZYQTBAHTIHSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-14-3-5-15(6-4-14)17(21)20-9-7-19(8-10-20)11-16-12-22-13-18-16/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of (4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 2.66, 4 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-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47025132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).