4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C20H18FN5O2S — CID 25095820

IUPAC4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN5O2S/c21-16-3-1-2-15(12-16)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)14-4-6-22-7-5-14/h1-7,12-13H,8-11H2,(H,23,24,28)
InChIKeyAOSCIHJROGGGMV-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.33
Rot. Bonds3

About 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 25095820) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID25095820
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN5O2S/c21-16-3-1-2-15(12-16)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)14-4-6-22-7-5-14/h1-7,12-13H,8-11H2,(H,23,24,28)
InChIKeyAOSCIHJROGGGMV-UHFFFAOYSA-N
XLogP3.33
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 59486313
4-(4-fluorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875156
4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875159
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
(3-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133371062
4-(3-fluorobenzoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperazine-1-carboxamide
CID 91544721
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 92566200
1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 32622900
4-(3-methylbenzoyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 78874921
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 25095820) is 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is AOSCIHJROGGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c21-16-3-1-2-15(12-16)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)14-4-6-22-7-5-14/h1-7,12-13H,8-11H2,(H,23,24,28).
What are the key properties of 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 25095820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).