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

C13H18F3N3OS — CID 97137213

IUPACN-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@@H](C2CCCC2)C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3OS/c1-8(20)18-12-19-10(7-21-12)6-17-11(13(14,15)16)9-4-2-3-5-9/h7,9,11,17H,2-6H2,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyDXDWTHHMVVAKIA-NSHDSACASA-N
MW321.37 g/mol
LogP3.31
Rot. Bonds5

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

N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 97137213) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID97137213
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC NameN-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@@H](C2CCCC2)C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3OS/c1-8(20)18-12-19-10(7-21-12)6-17-11(13(14,15)16)9-4-2-3-5-9/h7,9,11,17H,2-6H2,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyDXDWTHHMVVAKIA-NSHDSACASA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 97137213) is N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN[C@@H](C2CCCC2)C(F)(F)F)cs1.
What is the InChIKey of N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DXDWTHHMVVAKIA-NSHDSACASA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-8(20)18-12-19-10(7-21-12)6-17-11(13(14,15)16)9-4-2-3-5-9/h7,9,11,17H,2-6H2,1H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 97137213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).