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

C12H16F2N2O2S — CID 154842841

IUPACN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-8-9(19-7-16-8)10(17)15-6-11(18)2-4-12(13,14)5-3-11/h7,18H,2-6H2,1H3,(H,15,17)
InChIKeyXALCILXPMPCVIZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.12
Rot. Bonds3

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

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154842841) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID154842841
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O2S/c1-8-9(19-7-16-8)10(17)15-6-11(18)2-4-12(13,14)5-3-11/h7,18H,2-6H2,1H3,(H,15,17)
InChIKeyXALCILXPMPCVIZ-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.12
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-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 154842841) is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC1(O)CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XALCILXPMPCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-9(19-7-16-8)10(17)15-6-11(18)2-4-12(13,14)5-3-11/h7,18H,2-6H2,1H3,(H,15,17).
What are the key properties of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.12, 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-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154842841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).