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

C13H12F2N2O2S2 — CID 2532671

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H12F2N2O2S2/c1-8-6-20-13(16-8)21-7-11(18)17-9-2-4-10(5-3-9)19-12(14)15/h2-6,12H,7H2,1H3,(H,17,18)
InChIKeyAWIHYJZXIXIPKF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.78
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2532671) has the molecular formula C13H12F2N2O2S2 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2532671
Molecular FormulaC13H12F2N2O2S2
Molecular Weight330.38 g/mol
Exact Mass330.03
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C13H12F2N2O2S2/c1-8-6-20-13(16-8)21-7-11(18)17-9-2-4-10(5-3-9)19-12(14)15/h2-6,12H,7H2,1H3,(H,17,18)
InChIKeyAWIHYJZXIXIPKF-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.78
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]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2532671) is N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=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]acetamide?
The InChIKey is AWIHYJZXIXIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S2/c1-8-6-20-13(16-8)21-7-11(18)17-9-2-4-10(5-3-9)19-12(14)15/h2-6,12H,7H2,1H3,(H,17,18).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.78, 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]acetamide is sourced from PubChem (CID 2532671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).