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

C11H13F6N3OS — CID 97237742

IUPAC(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F6N3OS/c1-6(9(21)18-5-10(12,13)14)20(2)3-8-19-7(4-22-8)11(15,16)17/h4,6H,3,5H2,1-2H3,(H,18,21)/t6-/m0/s1
InChIKeyWGTZHZNFSLFCHR-LURJTMIESA-N
MW349.30 g/mol
LogP2.66
Rot. Bonds5

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

(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97237742) has the molecular formula C11H13F6N3OS and a molecular weight of 349.30 g/mol. Its IUPAC name is (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97237742
Molecular FormulaC11H13F6N3OS
Molecular Weight349.30 g/mol
Exact Mass349.07
IUPAC Name(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F6N3OS/c1-6(9(21)18-5-10(12,13)14)20(2)3-8-19-7(4-22-8)11(15,16)17/h4,6H,3,5H2,1-2H3,(H,18,21)/t6-/m0/s1
InChIKeyWGTZHZNFSLFCHR-LURJTMIESA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 97237742) is (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WGTZHZNFSLFCHR-LURJTMIESA-N. The full InChI is InChI=1S/C11H13F6N3OS/c1-6(9(21)18-5-10(12,13)14)20(2)3-8-19-7(4-22-8)11(15,16)17/h4,6H,3,5H2,1-2H3,(H,18,21)/t6-/m0/s1.
What are the key properties of (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 349.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97237742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).