(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

C19H16FN3O2S2 — CID 86883382

IUPAC(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(-c2cccs2)s1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H16FN3O2S2/c20-14-5-2-1-4-13(14)18(24)22-7-9-23(10-8-22)19(25)16-12-21-17(27-16)15-6-3-11-26-15/h1-6,11-12H,7-10H2
InChIKeyDEFMTQMDLJBDHR-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.61
Rot. Bonds3

About (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 86883382) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID86883382
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC Name(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(-c2cccs2)s1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H16FN3O2S2/c20-14-5-2-1-4-13(14)18(24)22-7-9-23(10-8-22)19(25)16-12-21-17(27-16)15-6-3-11-26-15/h1-6,11-12H,7-10H2
InChIKeyDEFMTQMDLJBDHR-UHFFFAOYSA-N
XLogP3.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354254
(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 110928448
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 95174199
(2S)-1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148770
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873492
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 110646109
[2-(difluoromethoxy)phenyl]-[4-(2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55706631
(2-iodophenyl)-[4-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753521
[4-(4,5-dimethylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850364
(2-phenyl-1,3-thiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56813121

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (CID 86883382) is (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is O=C(c1cnc(-c2cccs2)s1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DEFMTQMDLJBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c20-14-5-2-1-4-13(14)18(24)22-7-9-23(10-8-22)19(25)16-12-21-17(27-16)15-6-3-11-26-15/h1-6,11-12H,7-10H2.
What are the key properties of (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 401.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86883382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).