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

C11H15F3N2OS — CID 71983776

IUPACN,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCC(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-7(2)4-10(17)16(3)5-9-15-8(6-18-9)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyQNGKMNBIMWVZLH-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.17
Rot. Bonds4

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

N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide (PubChem CID 71983776) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
PubChem CID71983776
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide
SMILESCC(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2OS/c1-7(2)4-10(17)16(3)5-9-15-8(6-18-9)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyQNGKMNBIMWVZLH-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide (CID 71983776) is N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide is CC(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
The InChIKey is QNGKMNBIMWVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7(2)4-10(17)16(3)5-9-15-8(6-18-9)11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide?
N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide has a molecular weight of 280.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide is sourced from PubChem (CID 71983776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).