N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide

C7H11F2N3O2S2 — CID 104953022

IUPACN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C7H11F2N3O2S2/c1-5-11-2-6(15-5)16(13,14)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3
InChIKeyZMYWQIVBPLGERQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.32
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 104953022) has the molecular formula C7H11F2N3O2S2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID104953022
Molecular FormulaC7H11F2N3O2S2
Molecular Weight271.31 g/mol
Exact Mass271.03
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C7H11F2N3O2S2/c1-5-11-2-6(15-5)16(13,14)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3
InChIKeyZMYWQIVBPLGERQ-UHFFFAOYSA-N
XLogP0.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Propylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 155532323
2-Methylthiazole-5-sulfonamide
CID 13517396
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonylchloride
CID 155973595
5-Methylsulfonyl-2-(trifluoromethyl)-1,3-thiazole
CID 21394715
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 106784107
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
Imino-methyl-oxo-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-lambda6-sulfane
CID 146618911
N-[tert-butyl(dimethyl)silyl]-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 151301437
[2-(Difluoromethyl)-1,3-thiazol-5-yl]-imino-methyl-oxo-lambda6-sulfane
CID 153588348
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 155973089
2-(Difluoromethyl)-1,3-thiazole-5-sulfonylchloride
CID 165640374
2-(Difluoromethyl)-1,3-thiazole-5-sulfinamide
CID 167336921

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 104953022) is N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(F)(F)CN)s1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZMYWQIVBPLGERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S2/c1-5-11-2-6(15-5)16(13,14)12-4-7(8,9)3-10/h2,12H,3-4,10H2,1H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 271.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104953022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).