2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide

C15H12F2N2OS2 — CID 70315189

IUPAC2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC1N=C(NC(=O)c2c(F)cccc2F)SC1c1ccsc1
InChIInChI=1S/C15H12F2N2OS2/c1-8-13(9-5-6-21-7-9)22-15(18-8)19-14(20)12-10(16)3-2-4-11(12)17/h2-8,13H,1H3,(H,18,19,20)
InChIKeyDNWCVYAEWIUVQI-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.99
Rot. Bonds2

About 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide

2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 70315189) has the molecular formula C15H12F2N2OS2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID70315189
Molecular FormulaC15H12F2N2OS2
Molecular Weight338.40 g/mol
Exact Mass338.04
IUPAC Name2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC1N=C(NC(=O)c2c(F)cccc2F)SC1c1ccsc1
InChIInChI=1S/C15H12F2N2OS2/c1-8-13(9-5-6-21-7-9)22-15(18-8)19-14(20)12-10(16)3-2-4-11(12)17/h2-8,13H,1H3,(H,18,19,20)
InChIKeyDNWCVYAEWIUVQI-UHFFFAOYSA-N
XLogP3.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide with MolForge

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Related Compounds

3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 2386708
4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
CID 2810154
(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3422062
(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4685877
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 1245366
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 1245402
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4295478
N-(4-Methyl-benzoyl)-N''-(2-thiophen-2-yl-ethyl)-guanidine
CID 44337512
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
CID 71528581
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
CID 71528440
N-[3-oxo-2-(thiophene-2-carbonyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 4417892

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 70315189) is 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide is CC1N=C(NC(=O)c2c(F)cccc2F)SC1c1ccsc1.
What is the InChIKey of 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is DNWCVYAEWIUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS2/c1-8-13(9-5-6-21-7-9)22-15(18-8)19-14(20)12-10(16)3-2-4-11(12)17/h2-8,13H,1H3,(H,18,19,20).
What are the key properties of 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 338.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methyl-5-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70315189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).