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

C20H18FN5O2S — CID 59486313

IUPAC4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN5O2S/c21-15-5-3-4-14(12-15)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)16-6-1-2-7-22-16/h1-7,12-13H,8-11H2,(H,23,24,28)
InChIKeyBINWLOAKVNEKLX-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.33
Rot. Bonds3

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

4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 59486313) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID59486313
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H18FN5O2S/c21-15-5-3-4-14(12-15)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)16-6-1-2-7-22-16/h1-7,12-13H,8-11H2,(H,23,24,28)
InChIKeyBINWLOAKVNEKLX-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-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820
3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 176676308
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
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 89424116
N-(6-amino-1,3-benzothiazol-2-yl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide;4-(3-fluorobenzoyl)-N-[6-(pyridine-2-carbonylamino)-1,3-benzothiazol-2-yl]piperazine-1-carboxamide;pyridine-2-carboxylic acid
CID 158123252
4-(3-methylbenzoyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 78874921
4-(3-fluorobenzoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperazine-1-carboxamide
CID 91544721
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
2-(6-fluoroindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 56762301
N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528338

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 59486313) is 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BINWLOAKVNEKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c21-15-5-3-4-14(12-15)18(27)25-8-10-26(11-9-25)20(28)24-19-23-17(13-29-19)16-6-1-2-7-22-16/h1-7,12-13H,8-11H2,(H,23,24,28).
What are the key properties of 4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-fluorobenzoyl)-N-(4-pyridin-2-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-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 59486313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).