N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

C13H12F2N2OS — CID 24648632

IUPACN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H12F2N2OS/c1-3-11(18)16-13-17-12(7(2)19-13)8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyQTCRQQRRYADVQS-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.75
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 24648632) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID24648632
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC NameN-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H12F2N2OS/c1-3-11(18)16-13-17-12(7(2)19-13)8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyQTCRQQRRYADVQS-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16596091
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 24648633
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262558
1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867514
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 2511053
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 24648672

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 24648632) is N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is QTCRQQRRYADVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-3-11(18)16-13-17-12(7(2)19-13)8-4-5-9(14)10(15)6-8/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 282.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24648632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).