N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H15F3N2O2S — CID 125143737

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2scnc2C(F)(F)F)CCO1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2)5-7(3-4-19-11)17-10(18)8-9(12(13,14)15)16-6-20-8/h6-7H,3-5H2,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyDBNQTXRPJFPRKR-SSDOTTSWSA-N
MW308.33 g/mol
LogP2.85
Rot. Bonds2

About N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 125143737) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID125143737
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2scnc2C(F)(F)F)CCO1
InChIInChI=1S/C12H15F3N2O2S/c1-11(2)5-7(3-4-19-11)17-10(18)8-9(12(13,14)15)16-6-20-8/h6-7H,3-5H2,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyDBNQTXRPJFPRKR-SSDOTTSWSA-N
XLogP2.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 125143737) is N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC1(C)C[C@H](NC(=O)c2scnc2C(F)(F)F)CCO1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DBNQTXRPJFPRKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-11(2)5-7(3-4-19-11)17-10(18)8-9(12(13,14)15)16-6-20-8/h6-7H,3-5H2,1-2H3,(H,17,18)/t7-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125143737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).