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

C11H16F3N3OS — CID 120563759

IUPAC4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-7(15)3-4-10(18)17(2)5-9-16-8(6-19-9)11(12,13)14/h6-7H,3-5,15H2,1-2H3
InChIKeySSIBMLNBPVEIAE-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.25
Rot. Bonds5

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

4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide (PubChem CID 120563759) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
PubChem CID120563759
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCC(N)CCC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-7(15)3-4-10(18)17(2)5-9-16-8(6-19-9)11(12,13)14/h6-7H,3-5,15H2,1-2H3
InChIKeySSIBMLNBPVEIAE-UHFFFAOYSA-N
XLogP2.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The IUPAC name of 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide (CID 120563759) is 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide is CC(N)CCC(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The InChIKey is SSIBMLNBPVEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-7(15)3-4-10(18)17(2)5-9-16-8(6-19-9)11(12,13)14/h6-7H,3-5,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide has a molecular weight of 295.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide is sourced from PubChem (CID 120563759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).