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

C10H13F3N2O2S2 — CID 103726357

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1nc(CSCC(=O)NCC(O)C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S2/c1-6-15-7(4-19-6)3-18-5-9(17)14-2-8(16)10(11,12)13/h4,8,16H,2-3,5H2,1H3,(H,14,17)
InChIKeyOVQHXGDFQKGBRB-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.72
Rot. Bonds6

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

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726357) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726357
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1nc(CSCC(=O)NCC(O)C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S2/c1-6-15-7(4-19-6)3-18-5-9(17)14-2-8(16)10(11,12)13/h4,8,16H,2-3,5H2,1H3,(H,14,17)
InChIKeyOVQHXGDFQKGBRB-UHFFFAOYSA-N
XLogP1.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887787
2-[2-hydroxyethyl(methyl)amino]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 99940736
2,2,2-trifluoro-N-[2-(4-methyl-thiazol-2-yl)-ethyl]-acetamide
CID 39072071
2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 150435920
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823587
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethoxy)acetamide
CID 45835491
3,3,3-trifluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51079870
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943799
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943800
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61529784
2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63095053
1,1,1-Trifluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63902096

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726357) is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is Cc1nc(CSCC(=O)NCC(O)C(F)(F)F)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is OVQHXGDFQKGBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c1-6-15-7(4-19-6)3-18-5-9(17)14-2-8(16)10(11,12)13/h4,8,16H,2-3,5H2,1H3,(H,14,17).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).