(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone

C17H21FN4OS — CID 30142487

IUPAC(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C17H21FN4OS/c1-3-21-8-10-22(11-9-21)16(23)15-12(2)19-17(24-15)20-14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyBTVCSIODBBZHEI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.11
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 30142487) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID30142487
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C17H21FN4OS/c1-3-21-8-10-22(11-9-21)16(23)15-12(2)19-17(24-15)20-14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyBTVCSIODBBZHEI-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
1-[5-(4-benzylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 16897707
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
1-[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897009
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
N,N-diethyl-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 30888615
1-[4-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 49377676
[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59337873

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone (CID 30142487) is (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone is CCN1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is BTVCSIODBBZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-3-21-8-10-22(11-9-21)16(23)15-12(2)19-17(24-15)20-14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 30142487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).