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

C7H10F2N2O3S2 — CID 104858755

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C7H10F2N2O3S2/c1-5-10-2-6(15-5)16(13,14)11-3-7(8,9)4-12/h2,11-12H,3-4H2,1H3
InChIKeyCCTGHQGYWJTONS-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.36
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 104858755) has the molecular formula C7H10F2N2O3S2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID104858755
Molecular FormulaC7H10F2N2O3S2
Molecular Weight272.30 g/mol
Exact Mass272.01
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C7H10F2N2O3S2/c1-5-10-2-6(15-5)16(13,14)11-3-7(8,9)4-12/h2,11-12H,3-4H2,1H3
InChIKeyCCTGHQGYWJTONS-UHFFFAOYSA-N
XLogP0.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
2-methyl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-sulfonamide
CID 103414450
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 103847924
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847976
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104953022
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 105644705
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 105644715
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 106173740
2-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
CID 107479246
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 107483721
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113964806
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120404588

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 104858755) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(F)(F)CO)s1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is CCTGHQGYWJTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3S2/c1-5-10-2-6(15-5)16(13,14)11-3-7(8,9)4-12/h2,11-12H,3-4H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104858755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).