N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H12F3N3OS — CID 78924252

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1csc(CNC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3OS/c1-6-4-17-8(15-6)3-14-7(16)2-13-5-9(10,11)12/h4,13H,2-3,5H2,1H3,(H,14,16)
InChIKeyXSICBRPBYHIJCG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.22
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924252) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924252
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1csc(CNC(=O)CNCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3OS/c1-6-4-17-8(15-6)3-14-7(16)2-13-5-9(10,11)12/h4,13H,2-3,5H2,1H3,(H,14,16)
InChIKeyXSICBRPBYHIJCG-UHFFFAOYSA-N
XLogP1.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62838697
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924252) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1csc(CNC(=O)CNCC(F)(F)F)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XSICBRPBYHIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6-4-17-8(15-6)3-14-7(16)2-13-5-9(10,11)12/h4,13H,2-3,5H2,1H3,(H,14,16).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).