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

C12H16F3N3O2S — CID 120793994

IUPAC2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESNC(C(=O)NCc1nc(C(F)(F)F)cs1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)8-6-21-9(18-8)5-17-11(19)10(16)7-1-3-20-4-2-7/h6-7,10H,1-5,16H2,(H,17,19)
InChIKeyCJMLNUOXAZFASB-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.53
Rot. Bonds4

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

2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 120793994) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID120793994
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESNC(C(=O)NCc1nc(C(F)(F)F)cs1)C1CCOCC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)8-6-21-9(18-8)5-17-11(19)10(16)7-1-3-20-4-2-7/h6-7,10H,1-5,16H2,(H,17,19)
InChIKeyCJMLNUOXAZFASB-UHFFFAOYSA-N
XLogP1.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 120795451
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-methyl-1-(oxan-4-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119160469
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
1-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 119328993

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 120793994) is 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is NC(C(=O)NCc1nc(C(F)(F)F)cs1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is CJMLNUOXAZFASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)8-6-21-9(18-8)5-17-11(19)10(16)7-1-3-20-4-2-7/h6-7,10H,1-5,16H2,(H,17,19).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 323.34 g/mol, XLogP of 1.53, 4 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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 120793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).