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

C19H16F2N2OS — CID 18268670

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C19H16F2N2OS/c1-12-2-4-13(5-3-12)6-9-18(24)23-19-22-17(11-25-19)14-7-8-15(20)16(21)10-14/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23,24)
InChIKeyFHJSUYVGWJHJRM-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.97
Rot. Bonds5

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 18268670) has the molecular formula C19H16F2N2OS and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
PubChem CID18268670
Molecular FormulaC19H16F2N2OS
Molecular Weight358.41 g/mol
Exact Mass358.10
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C19H16F2N2OS/c1-12-2-4-13(5-3-12)6-9-18(24)23-19-22-17(11-25-19)14-7-8-15(20)16(21)10-14/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23,24)
InChIKeyFHJSUYVGWJHJRM-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286
3-(4-fluorophenyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 134041781
[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 8011216
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55667223
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 33278789
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18225324

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (CID 18268670) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is FHJSUYVGWJHJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2OS/c1-12-2-4-13(5-3-12)6-9-18(24)23-19-22-17(11-25-19)14-7-8-15(20)16(21)10-14/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 4.97, 5 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)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 18268670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).