N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H10F3N3O2S — CID 174347500

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)C(C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-4-3-18-8(13-4)15-6(16)5(2)14-7(17)9(10,11)12/h3,5H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeySNEQMUOZGSNXBX-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.46
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 174347500) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID174347500
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCc1csc(NC(=O)C(C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2S/c1-4-3-18-8(13-4)15-6(16)5(2)14-7(17)9(10,11)12/h3,5H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeySNEQMUOZGSNXBX-UHFFFAOYSA-N
XLogP1.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(4-methyl-thiazol-2-ylamino)-propionic acid methyl ester
CID 3842659
2-Acetamido-4-methanesulfonyl-N-(4-methyl-1,3-thiazol-2-YL)butanamide
CID 3238677
3,3,3-Trifluoro-2-(4-methyl-thiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
CID 3496405
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 44565686
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855
1-[2-[3-Methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 53612097
2-(4-methylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 66573026
N-(4-methylthiazol-2-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798059
N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
CID 71990543
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3229599
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 174347500) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is Cc1csc(NC(=O)C(C)NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is SNEQMUOZGSNXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-4-3-18-8(13-4)15-6(16)5(2)14-7(17)9(10,11)12/h3,5H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 281.26 g/mol, XLogP of 1.46, 3 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)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 174347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).