(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H10F3N3O2S — CID 54244432

IUPAC(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)NCc1nccs1
InChIInChI=1S/C9H10F3N3O2S/c1-5(15-8(17)9(10,11)12)7(16)14-4-6-13-2-3-18-6/h2-3,5H,4H2,1H3,(H,14,16)(H,15,17)/t5-/m0/s1
InChIKeyQSGCKBMSJVYNFJ-YFKPBYRVSA-N
MW281.26 g/mol
LogP0.83
Rot. Bonds4

About (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 54244432) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID54244432
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)NCc1nccs1
InChIInChI=1S/C9H10F3N3O2S/c1-5(15-8(17)9(10,11)12)7(16)14-4-6-13-2-3-18-6/h2-3,5H,4H2,1H3,(H,14,16)(H,15,17)/t5-/m0/s1
InChIKeyQSGCKBMSJVYNFJ-YFKPBYRVSA-N
XLogP0.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 122160091
2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 124573274
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
[3-Oxo-3-(1,3-thiazol-2-ylmethylamino)-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 22916692

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 54244432) is (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is C[C@H](NC(=O)C(F)(F)F)C(=O)NCc1nccs1.
What is the InChIKey of (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is QSGCKBMSJVYNFJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-5(15-8(17)9(10,11)12)7(16)14-4-6-13-2-3-18-6/h2-3,5H,4H2,1H3,(H,14,16)(H,15,17)/t5-/m0/s1.
What are the key properties of (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 281.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 54244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).