2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride

C18H21ClF3N3O2S — CID 120795451

IUPAC2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1
InChIInChI=1S/C18H20F3N3O2S.ClH/c19-18(20,21)13-3-1-12(2-4-13)17-24-14(10-27-17)9-23-16(25)15(22)11-5-7-26-8-6-11;/h1-4,10-11,15H,5-9,22H2,(H,23,25);1H
InChIKeyKYDLXJKBGOLKDG-UHFFFAOYSA-N
MW435.90 g/mol
LogP3.62
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120795451) has the molecular formula C18H21ClF3N3O2S and a molecular weight of 435.90 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
PubChem CID120795451
Molecular FormulaC18H21ClF3N3O2S
Molecular Weight435.90 g/mol
Exact Mass435.10
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1
InChIInChI=1S/C18H20F3N3O2S.ClH/c19-18(20,21)13-3-1-12(2-4-13)17-24-14(10-27-17)9-23-16(25)15(22)11-5-7-26-8-6-11;/h1-4,10-11,15H,5-9,22H2,(H,23,25);1H
InChIKeyKYDLXJKBGOLKDG-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]butanamide
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2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]propanoic acid
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2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 119338414
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride (CID 120795451) is 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride is Cl.NC(C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is KYDLXJKBGOLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S.ClH/c19-18(20,21)13-3-1-12(2-4-13)17-24-14(10-27-17)9-23-16(25)15(22)11-5-7-26-8-6-11;/h1-4,10-11,15H,5-9,22H2,(H,23,25);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 435.90 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120795451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).