N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C11H16F2N2O2S2 — CID 107482980

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C11H16F2N2O2S2/c1-8-14-9(6-19-8)5-18-7-11(17)15(2-3-16)4-10(12)13/h6,10,16H,2-5,7H2,1H3
InChIKeyBMFPCDSTCKZDCF-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.77
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 107482980) has the molecular formula C11H16F2N2O2S2 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID107482980
Molecular FormulaC11H16F2N2O2S2
Molecular Weight310.39 g/mol
Exact Mass310.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)N(CCO)CC(F)F)cs1
InChIInChI=1S/C11H16F2N2O2S2/c1-8-14-9(6-19-8)5-18-7-11(17)15(2-3-16)4-10(12)13/h6,10,16H,2-5,7H2,1H3
InChIKeyBMFPCDSTCKZDCF-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 107482980) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)N(CCO)CC(F)F)cs1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is BMFPCDSTCKZDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S2/c1-8-14-9(6-19-8)5-18-7-11(17)15(2-3-16)4-10(12)13/h6,10,16H,2-5,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 310.39 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 107482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).