4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide

C19H18FN5OS — CID 68778670

IUPAC4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-3-1-2-14(10-15)16-12-27-18(23-16)13-4-8-25(9-5-13)19(26)24-17-11-21-6-7-22-17/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,24,26)
InChIKeyZLLNKRKTXFSXOG-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.15
Rot. Bonds3

About 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide

4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide (PubChem CID 68778670) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide
PubChem CID68778670
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cnccn1)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1
InChIInChI=1S/C19H18FN5OS/c20-15-3-1-2-14(10-15)16-12-27-18(23-16)13-4-8-25(9-5-13)19(26)24-17-11-21-6-7-22-17/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,24,26)
InChIKeyZLLNKRKTXFSXOG-UHFFFAOYSA-N
XLogP4.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3800753
4-[4-(3-fluorophenyl)pyrimidin-2-yl]-N-(1-methyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154788057
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53011767
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819548
N-pyrazin-2-ylazepane-1-carboxamide
CID 110492146
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3853833
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide (CID 68778670) is 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide is O=C(Nc1cnccn1)N1CCC(c2nc(-c3cccc(F)c3)cs2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide?
The InChIKey is ZLLNKRKTXFSXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-3-1-2-14(10-15)16-12-27-18(23-16)13-4-8-25(9-5-13)19(26)24-17-11-21-6-7-22-17/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,24,26).
What are the key properties of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide?
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 68778670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).