phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

C19H17N3O2S2 — CID 78813030

IUPACphenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H17N3O2S2/c23-18(14-5-2-1-3-6-14)21-8-10-22(11-9-21)19(24)15-13-26-17(20-15)16-7-4-12-25-16/h1-7,12-13H,8-11H2
InChIKeyNXVZZRIGOSCHNW-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.47
Rot. Bonds3

About phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 78813030) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID78813030
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Namephenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C19H17N3O2S2/c23-18(14-5-2-1-3-6-14)21-8-10-22(11-9-21)19(24)15-13-26-17(20-15)16-7-4-12-25-16/h1-7,12-13H,8-11H2
InChIKeyNXVZZRIGOSCHNW-UHFFFAOYSA-N
XLogP3.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 56745375
piperidin-1-yl-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 55438799
4-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720117
[(3S)-3-hydroxypiperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 107224496
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 55474755
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 17493120
(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809948
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
2-[1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371467
(2R,3R)-2-methyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122116190
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120745042

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 78813030) is phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1.
What is the InChIKey of phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NXVZZRIGOSCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c23-18(14-5-2-1-3-6-14)21-8-10-22(11-9-21)19(24)15-13-26-17(20-15)16-7-4-12-25-16/h1-7,12-13H,8-11H2.
What are the key properties of phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78813030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).