3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

C20H21FN4O4S — CID 46172387

IUPAC3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1)c1cccc(F)c1
InChIInChI=1S/C20H21FN4O4S/c21-14-4-1-3-13(11-14)17(26)23-20-22-15(12-30-20)18(27)24-6-8-25(9-7-24)19(28)16-5-2-10-29-16/h1,3-4,11-12,16H,2,5-10H2,(H,22,23,26)
InChIKeyBBORZJSNBDWJCP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.00
Rot. Bonds4

About 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46172387) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46172387
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1)c1cccc(F)c1
InChIInChI=1S/C20H21FN4O4S/c21-14-4-1-3-13(11-14)17(26)23-20-22-15(12-30-20)18(27)24-6-8-25(9-7-24)19(28)16-5-2-10-29-16/h1,3-4,11-12,16H,2,5-10H2,(H,22,23,26)
InChIKeyBBORZJSNBDWJCP-UHFFFAOYSA-N
XLogP2.00
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114124
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42944410
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (CID 46172387) is 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)cs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BBORZJSNBDWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c21-14-4-1-3-13(11-14)17(26)23-20-22-15(12-30-20)18(27)24-6-8-25(9-7-24)19(28)16-5-2-10-29-16/h1,3-4,11-12,16H,2,5-10H2,(H,22,23,26).
What are the key properties of 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46172387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).