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

C8H10F2N2O2S — CID 103770274

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)C(F)F)s1
InChIInChI=1S/C8H10F2N2O2S/c1-4-11-3-6(15-4)8(14)12-2-5(13)7(9)10/h3,5,7,13H,2H2,1H3,(H,12,14)
InChIKeyGPEFUABPQASUIW-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.81
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103770274) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103770274
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)C(F)F)s1
InChIInChI=1S/C8H10F2N2O2S/c1-4-11-3-6(15-4)8(14)12-2-5(13)7(9)10/h3,5,7,13H,2H2,1H3,(H,12,14)
InChIKeyGPEFUABPQASUIW-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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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
N-[(3,3-difluorocyclobutyl)methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole-5-carboxamide
CID 164633307
N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 20060258
2-[[2-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]ethyl nitrate
CID 20060289
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 58458786
N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738967
2-(Azetidin-3-yloxy)-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166747223
N-methyl-2-(oxiran-2-yl)-1,3-thiazole-5-carboxamide
CID 176431686
2-tert-butyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 56070525
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 86836357
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 103770274) is N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(O)C(F)F)s1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPEFUABPQASUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-4-11-3-6(15-4)8(14)12-2-5(13)7(9)10/h3,5,7,13H,2H2,1H3,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103770274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).