N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C14H14F2N2O2S2 — CID 42973725

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C14H14F2N2O2S2/c1-8-7-21-14(17-8)22-9(2)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-7,9,13H,1-2H3,(H,18,19)
InChIKeyGLLAWERKYXKEII-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.17
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 42973725) has the molecular formula C14H14F2N2O2S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
PubChem CID42973725
Molecular FormulaC14H14F2N2O2S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCc1csc(SC(C)C(=O)Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C14H14F2N2O2S2/c1-8-7-21-14(17-8)22-9(2)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-7,9,13H,1-2H3,(H,18,19)
InChIKeyGLLAWERKYXKEII-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 42973725) is N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is Cc1csc(SC(C)C(=O)Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
The InChIKey is GLLAWERKYXKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S2/c1-8-7-21-14(17-8)22-9(2)12(19)18-10-3-5-11(6-4-10)20-13(15)16/h3-7,9,13H,1-2H3,(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 42973725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).