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

C15H16F2N2OS — CID 47047643

IUPAC3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(NC(=O)CCc2ccc(F)c(F)c2)sc1C
InChIInChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-15(18-13)19-14(20)7-5-10-4-6-11(16)12(17)8-10/h4,6,8H,3,5,7H2,1-2H3,(H,18,19,20)
InChIKeySTBMPJJHOSMRMT-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.86
Rot. Bonds5

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

3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 47047643) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID47047643
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(NC(=O)CCc2ccc(F)c(F)c2)sc1C
InChIInChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-15(18-13)19-14(20)7-5-10-4-6-11(16)12(17)8-10/h4,6,8H,3,5,7H2,1-2H3,(H,18,19,20)
InChIKeySTBMPJJHOSMRMT-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115692372
4-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
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N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
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2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 63591400
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 57414509
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide (CID 47047643) is 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is CCc1nc(NC(=O)CCc2ccc(F)c(F)c2)sc1C.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is STBMPJJHOSMRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-3-13-9(2)21-15(18-13)19-14(20)7-5-10-4-6-11(16)12(17)8-10/h4,6,8H,3,5,7H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide?
3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 310.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47047643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).