N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

C13H12F3N3OS — CID 64556257

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(N)c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3OS/c1-7(17)10-6-21-12(18-10)19-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyOTLDYFLKLSSJJG-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.43
Rot. Bonds3

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 64556257) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID64556257
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(N)c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H12F3N3OS/c1-7(17)10-6-21-12(18-10)19-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyOTLDYFLKLSSJJG-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014642
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
CID 64557841

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (CID 64556257) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is CC(N)c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is OTLDYFLKLSSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-7(17)10-6-21-12(18-10)19-11(20)8-2-4-9(5-3-8)13(14,15)16/h2-7H,17H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 315.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 64556257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).