N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C18H22F3N3OS — CID 119668781

IUPACN-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H22F3N3OS/c1-2-3-7-14(10-22)23-16(25)9-15-11-26-17(24-15)12-5-4-6-13(8-12)18(19,20)21/h4-6,8,11,14H,2-3,7,9-10,22H2,1H3,(H,23,25)
InChIKeyVHUWDQIOOXXYKB-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.01
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 119668781) has the molecular formula C18H22F3N3OS and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID119668781
Molecular FormulaC18H22F3N3OS
Molecular Weight385.46 g/mol
Exact Mass385.14
IUPAC NameN-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H22F3N3OS/c1-2-3-7-14(10-22)23-16(25)9-15-11-26-17(24-15)12-5-4-6-13(8-12)18(19,20)21/h4-6,8,11,14H,2-3,7,9-10,22H2,1H3,(H,23,25)
InChIKeyVHUWDQIOOXXYKB-UHFFFAOYSA-N
XLogP4.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119668132
ethyl 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 12953395
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119666140
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120831654
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
N-(2-amino-1-cyclopropylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119616726
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119585465

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 119668781) is N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CCCCC(CN)NC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is VHUWDQIOOXXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3OS/c1-2-3-7-14(10-22)23-16(25)9-15-11-26-17(24-15)12-5-4-6-13(8-12)18(19,20)21/h4-6,8,11,14H,2-3,7,9-10,22H2,1H3,(H,23,25).
What are the key properties of N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).