N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C20H23FN4O3S — CID 24594059

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H23FN4O3S/c21-15-5-3-14(4-6-15)16-13-29-20(22-16)23-18(26)12-24-7-9-25(10-8-24)19(27)17-2-1-11-28-17/h3-6,13,17H,1-2,7-12H2,(H,22,23,26)
InChIKeyILWFRWFVCJPKBO-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.21
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 24594059) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID24594059
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H23FN4O3S/c21-15-5-3-14(4-6-15)16-13-29-20(22-16)23-18(26)12-24-7-9-25(10-8-24)19(27)17-2-1-11-28-17/h3-6,13,17H,1-2,7-12H2,(H,22,23,26)
InChIKeyILWFRWFVCJPKBO-UHFFFAOYSA-N
XLogP2.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55626130
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 87017765
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 24594059) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ILWFRWFVCJPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c21-15-5-3-14(4-6-15)16-13-29-20(22-16)23-18(26)12-24-7-9-25(10-8-24)19(27)17-2-1-11-28-17/h3-6,13,17H,1-2,7-12H2,(H,22,23,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 418.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24594059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).