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

C11H17ClF3N3O2S — CID 120593461

IUPAC4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C11H16F3N3O2S.ClH/c1-19-7(5-15)4-9(18)16-3-2-10-17-8(6-20-10)11(12,13)14;/h6-7H,2-5,15H2,1H3,(H,16,18);1H
InChIKeyNUWZOAMIASCNBE-UHFFFAOYSA-N
MW347.79 g/mol
LogP1.61
Rot. Bonds7

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

4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride (PubChem CID 120593461) has the molecular formula C11H17ClF3N3O2S and a molecular weight of 347.79 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride
PubChem CID120593461
Molecular FormulaC11H17ClF3N3O2S
Molecular Weight347.79 g/mol
Exact Mass347.07
IUPAC Name4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C11H16F3N3O2S.ClH/c1-19-7(5-15)4-9(18)16-3-2-10-17-8(6-20-10)11(12,13)14;/h6-7H,2-5,15H2,1H3,(H,16,18);1H
InChIKeyNUWZOAMIASCNBE-UHFFFAOYSA-N
XLogP1.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride (CID 120593461) is 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride is COC(CN)CC(=O)NCCc1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride?
The InChIKey is NUWZOAMIASCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S.ClH/c1-19-7(5-15)4-9(18)16-3-2-10-17-8(6-20-10)11(12,13)14;/h6-7H,2-5,15H2,1H3,(H,16,18);1H.
What are the key properties of 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride has a molecular weight of 347.79 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120593461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).