2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H11F3N2O3S — CID 79795914

IUPAC2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1nc(C)c(C(=O)NC(C)(C(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-4-6(19-5(2)14-4)7(16)15-9(3,8(17)18)10(11,12)13/h1-3H3,(H,15,16)(H,17,18)
InChIKeyKXCKOVUPCIPHLO-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.90
Rot. Bonds3

About 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79795914) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79795914
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1nc(C)c(C(=O)NC(C)(C(=O)O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-4-6(19-5(2)14-4)7(16)15-9(3,8(17)18)10(11,12)13/h1-3H3,(H,15,16)(H,17,18)
InChIKeyKXCKOVUPCIPHLO-UHFFFAOYSA-N
XLogP1.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79795914) is 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1nc(C)c(C(=O)NC(C)(C(=O)O)C(F)(F)F)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is KXCKOVUPCIPHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-4-6(19-5(2)14-4)7(16)15-9(3,8(17)18)10(11,12)13/h1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 296.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79795914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).