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

C10H14F3N3O2S — CID 120592710

IUPAC4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3O2S/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyYRJYSLJPJINMQM-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.14
Rot. Bonds6

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

4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide (PubChem CID 120592710) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
PubChem CID120592710
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3O2S/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyYRJYSLJPJINMQM-UHFFFAOYSA-N
XLogP1.14
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.14
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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide (CID 120592710) is 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide is COC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The InChIKey is YRJYSLJPJINMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide has a molecular weight of 297.30 g/mol, XLogP of 1.14, 6 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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide is sourced from PubChem (CID 120592710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).