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

C6H7F2N3O2S — CID 103770524

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnsn1
InChIInChI=1S/C6H7F2N3O2S/c7-5(8)4(12)2-9-6(13)3-1-10-14-11-3/h1,4-5,12H,2H2,(H,9,13)
InChIKeyWXVSJFTWWYHUQL-UHFFFAOYSA-N
MW223.20 g/mol
LogP-0.11
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 103770524) has the molecular formula C6H7F2N3O2S and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID103770524
Molecular FormulaC6H7F2N3O2S
Molecular Weight223.20 g/mol
Exact Mass223.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnsn1
InChIInChI=1S/C6H7F2N3O2S/c7-5(8)4(12)2-9-6(13)3-1-10-14-11-3/h1,4-5,12H,2H2,(H,9,13)
InChIKeyWXVSJFTWWYHUQL-UHFFFAOYSA-N
XLogP-0.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
2-[1,2,5-Thiadiazole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990400
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 103726289
N-(3,3,3-trifluoro-2-hydroxypropyl)-2H-triazole-4-carboxamide
CID 103726457
N-(3,3-difluoro-2-hydroxypropyl)-2H-triazole-4-carboxamide
CID 103770390
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 103915377
N-(2,2-difluoro-3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
CID 104857119
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 107482646
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 114383742
N-(3-amino-2,2-difluoropropyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120408228
4,4,4-Trifluoro-2-(1,2,5-thiadiazole-3-carbonylamino)butanoic acid
CID 121642754
N-(2,2-difluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 130736415

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (CID 103770524) is N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCC(O)C(F)F)c1cnsn1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is WXVSJFTWWYHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2S/c7-5(8)4(12)2-9-6(13)3-1-10-14-11-3/h1,4-5,12H,2H2,(H,9,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 223.20 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 103770524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).