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

C14H15ClF3N3OS — CID 119708092

IUPAC3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.Cl
InChIInChI=1S/C14H14F3N3OS.ClH/c1-8(18)5-12(21)20-13-19-11(7-22-13)9-3-2-4-10(6-9)14(15,16)17;/h2-4,6-8H,5,18H2,1H3,(H,19,20,21);1H
InChIKeyJEMQCFSRUXUMRE-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.93
Rot. Bonds4

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

3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride (PubChem CID 119708092) has the molecular formula C14H15ClF3N3OS and a molecular weight of 365.81 g/mol. Its IUPAC name is 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
PubChem CID119708092
Molecular FormulaC14H15ClF3N3OS
Molecular Weight365.81 g/mol
Exact Mass365.06
IUPAC Name3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.Cl
InChIInChI=1S/C14H14F3N3OS.ClH/c1-8(18)5-12(21)20-13-19-11(7-22-13)9-3-2-4-10(6-9)14(15,16)17;/h2-4,6-8H,5,18H2,1H3,(H,19,20,21);1H
InChIKeyJEMQCFSRUXUMRE-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 88904480
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 28861500
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride (CID 119708092) is 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride is CC(N)CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.Cl.
What is the InChIKey of 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The InChIKey is JEMQCFSRUXUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS.ClH/c1-8(18)5-12(21)20-13-19-11(7-22-13)9-3-2-4-10(6-9)14(15,16)17;/h2-4,6-8H,5,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride has a molecular weight of 365.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119708092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).