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

C16H18F3N3OS — CID 119338432

IUPAC2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)21-8-12-9-24-15(22-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,23)
InChIKeyAYXUSXSTBMOHEE-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.57
Rot. Bonds6

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

2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide (PubChem CID 119338432) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide
PubChem CID119338432
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)21-8-12-9-24-15(22-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,23)
InChIKeyAYXUSXSTBMOHEE-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]butanamide
CID 120501859
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 120795451
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]propanoic acid
CID 120913274
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
1-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]phenyl]butan-1-one
CID 68721371
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide (CID 119338432) is 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide is CCCC(N)C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide?
The InChIKey is AYXUSXSTBMOHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-2-3-13(20)14(23)21-8-12-9-24-15(22-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9,13H,2-3,8,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide?
2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide has a molecular weight of 357.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide is sourced from PubChem (CID 119338432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).