3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide

C15H13F2N3O3S — CID 46114124

IUPAC3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCOCC2)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2N3O3S/c16-10-5-9(6-11(17)7-10)13(21)19-15-18-12(8-24-15)14(22)20-1-3-23-4-2-20/h5-8H,1-4H2,(H,18,19,21)
InChIKeyUOZKALOFUZZZRX-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.15
Rot. Bonds3

About 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide

3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46114124) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID46114124
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCOCC2)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2N3O3S/c16-10-5-9(6-11(17)7-10)13(21)19-15-18-12(8-24-15)14(22)20-1-3-23-4-2-20/h5-8H,1-4H2,(H,18,19,21)
InChIKeyUOZKALOFUZZZRX-UHFFFAOYSA-N
XLogP2.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46172387
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16915195
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 46114229
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 46114124) is 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCOCC2)cs1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UOZKALOFUZZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c16-10-5-9(6-11(17)7-10)13(21)19-15-18-12(8-24-15)14(22)20-1-3-23-4-2-20/h5-8H,1-4H2,(H,18,19,21).
What are the key properties of 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide?
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 353.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46114124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).