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

C12H17F3N2O3S — CID 103915539

IUPACN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3S/c1-9-7-21-11(20)17(9)4-2-3-10(19)16(5-6-18)8-12(13,14)15/h7,18H,2-6,8H2,1H3
InChIKeyJVWPZWYEIDCOKQ-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.38
Rot. Bonds7

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

N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103915539) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103915539
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC NameN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O3S/c1-9-7-21-11(20)17(9)4-2-3-10(19)16(5-6-18)8-12(13,14)15/h7,18H,2-6,8H2,1H3
InChIKeyJVWPZWYEIDCOKQ-UHFFFAOYSA-N
XLogP1.38
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.38
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-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 107483113
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-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide (CID 103915539) is N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide is Cc1csc(=O)n1CCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JVWPZWYEIDCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-9-7-21-11(20)17(9)4-2-3-10(19)16(5-6-18)8-12(13,14)15/h7,18H,2-6,8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 326.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103915539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).