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

C9H11F3N2OS — CID 173107734

IUPAC(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESC[C@H](CC(N)=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-5(2-7(13)15)3-8-14-6(4-16-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15)/t5-/m1/s1
InChIKeyRCABWEMZHPWYJE-RXMQYKEDSA-N
MW252.26 g/mol
LogP2.22
Rot. Bonds4

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

(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 173107734) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID173107734
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESC[C@H](CC(N)=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-5(2-7(13)15)3-8-14-6(4-16-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15)/t5-/m1/s1
InChIKeyRCABWEMZHPWYJE-RXMQYKEDSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 173107734) is (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is C[C@H](CC(N)=O)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is RCABWEMZHPWYJE-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5(2-7(13)15)3-8-14-6(4-16-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15)/t5-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
(3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 252.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 173107734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).