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

C16H18F2N2OS2 — CID 87033756

IUPACN-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2cc(F)ccc2F)cs1
InChIInChI=1S/C16H18F2N2OS2/c1-3-4-15-19-12(9-23-15)8-22-10(2)16(21)20-14-7-11(17)5-6-13(14)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyMMCBPRIEJXHCEN-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.63
Rot. Bonds7

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

N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 87033756) has the molecular formula C16H18F2N2OS2 and a molecular weight of 356.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID87033756
Molecular FormulaC16H18F2N2OS2
Molecular Weight356.46 g/mol
Exact Mass356.08
IUPAC NameN-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2cc(F)ccc2F)cs1
InChIInChI=1S/C16H18F2N2OS2/c1-3-4-15-19-12(9-23-15)8-22-10(2)16(21)20-14-7-11(17)5-6-13(14)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyMMCBPRIEJXHCEN-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 87033756) is N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is CCCc1nc(CSC(C)C(=O)Nc2cc(F)ccc2F)cs1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is MMCBPRIEJXHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS2/c1-3-4-15-19-12(9-23-15)8-22-10(2)16(21)20-14-7-11(17)5-6-13(14)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 356.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 87033756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).