N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H13F5N2O2S — CID 154842826

IUPACN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1scnc1C(F)(F)F
InChIInChI=1S/C12H13F5N2O2S/c13-11(14)3-1-10(21,2-4-11)5-18-9(20)7-8(12(15,16)17)19-6-22-7/h6,21H,1-5H2,(H,18,20)
InChIKeyKUWFKNBRUPMNTI-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.83
Rot. Bonds3

About N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 154842826) has the molecular formula C12H13F5N2O2S and a molecular weight of 344.31 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID154842826
Molecular FormulaC12H13F5N2O2S
Molecular Weight344.31 g/mol
Exact Mass344.06
IUPAC NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1scnc1C(F)(F)F
InChIInChI=1S/C12H13F5N2O2S/c13-11(14)3-1-10(21,2-4-11)5-18-9(20)7-8(12(15,16)17)19-6-22-7/h6,21H,1-5H2,(H,18,20)
InChIKeyKUWFKNBRUPMNTI-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 154842826) is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCC1(O)CCC(F)(F)CC1)c1scnc1C(F)(F)F.
What is the InChIKey of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KUWFKNBRUPMNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O2S/c13-11(14)3-1-10(21,2-4-11)5-18-9(20)7-8(12(15,16)17)19-6-22-7/h6,21H,1-5H2,(H,18,20).
What are the key properties of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154842826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).