N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C12H18F2N2O3S — CID 107483113

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O3S/c1-9-8-20-12(19)16(9)4-2-3-11(18)15(5-6-17)7-10(13)14/h8,10,17H,2-7H2,1H3
InChIKeyIGJAAXHKILZWOE-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.08
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 107483113) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID107483113
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H18F2N2O3S/c1-9-8-20-12(19)16(9)4-2-3-11(18)15(5-6-17)7-10(13)14/h8,10,17H,2-7H2,1H3
InChIKeyIGJAAXHKILZWOE-UHFFFAOYSA-N
XLogP1.08
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726314
N-(3,3-difluoro-2-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103770091
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915362
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103915539
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113964720
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
3-[4-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 43393814
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
CID 43573774
N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43577365
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
CID 61039797
N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 61234726

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 107483113) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is IGJAAXHKILZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c1-9-8-20-12(19)16(9)4-2-3-11(18)15(5-6-17)7-10(13)14/h8,10,17H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 308.35 g/mol, XLogP of 1.08, 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)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 107483113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).