N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide

C8H10F2N2O2S — CID 104858223

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H10F2N2O2S/c1-5-11-2-6(15-5)7(14)12-3-8(9,10)4-13/h2,13H,3-4H2,1H3,(H,12,14)
InChIKeyHCWZLCIYEBMAIU-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.81
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104858223) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID104858223
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C8H10F2N2O2S/c1-5-11-2-6(15-5)7(14)12-3-8(9,10)4-13/h2,13H,3-4H2,1H3,(H,12,14)
InChIKeyHCWZLCIYEBMAIU-UHFFFAOYSA-N
XLogP0.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 104858223) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(F)(F)CO)s1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HCWZLCIYEBMAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-5-11-2-6(15-5)7(14)12-3-8(9,10)4-13/h2,13H,3-4H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104858223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).