3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C8H14F2N4O3S2 — CID 106174709

IUPAC3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C8H14F2N4O3S2/c1-14(2)19(16,17)5-6(11)13-18-7(5)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyGVEPDVMYVSDWMD-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.02
Rot. Bonds6

About 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 106174709) has the molecular formula C8H14F2N4O3S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID106174709
Molecular FormulaC8H14F2N4O3S2
Molecular Weight316.36 g/mol
Exact Mass316.05
IUPAC Name3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)CO
InChIInChI=1S/C8H14F2N4O3S2/c1-14(2)19(16,17)5-6(11)13-18-7(5)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13)
InChIKeyGVEPDVMYVSDWMD-UHFFFAOYSA-N
XLogP0.02
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 106174709) is 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)CO.
What is the InChIKey of 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is GVEPDVMYVSDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O3S2/c1-14(2)19(16,17)5-6(11)13-18-7(5)12-3-8(9,10)4-15/h12,15H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 316.36 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 106174709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).