2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide

C16H18F3N3OS — CID 119278166

IUPAC2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)22-15-21-9-12(24-15)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,22,23)
InChIKeyLZZNDVRZJMCZLN-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.82
Rot. Bonds6

About 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide

2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 119278166) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide
PubChem CID119278166
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)22-15-21-9-12(24-15)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,22,23)
InChIKeyLZZNDVRZJMCZLN-UHFFFAOYSA-N
XLogP3.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
2-ethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 78874341
4-amino-3-methoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 120587824
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
3-[[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074623
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
2-amino-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119956534
6-acetamido-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]hexanamide
CID 78843663
2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 90448889

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide (CID 119278166) is 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide is CCCC(N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is LZZNDVRZJMCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)22-15-21-9-12(24-15)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,22,23).
What are the key properties of 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide?
2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 357.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 119278166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).