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

C20H18F2N2OS — CID 88589486

IUPACN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1
InChIInChI=1S/C20H18F2N2OS/c1-13-3-2-4-14(9-13)6-8-19(25)24-20-23-12-16(26-20)10-15-5-7-17(21)18(22)11-15/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,23,24,25)
InChIKeyXDLSDKYGFUZANQ-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.89
Rot. Bonds6

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

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide (PubChem CID 88589486) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
PubChem CID88589486
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC NameN-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1
InChIInChI=1S/C20H18F2N2OS/c1-13-3-2-4-14(9-13)6-8-19(25)24-20-23-12-16(26-20)10-15-5-7-17(21)18(22)11-15/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,23,24,25)
InChIKeyXDLSDKYGFUZANQ-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 57414509
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18286726
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 16648903
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 78869873
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 7535959
3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034536
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide (CID 88589486) is N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1.
What is the InChIKey of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is XDLSDKYGFUZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c1-13-3-2-4-14(9-13)6-8-19(25)24-20-23-12-16(26-20)10-15-5-7-17(21)18(22)11-15/h2-5,7,9,11-12H,6,8,10H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide?
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 372.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 88589486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).