N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide

C7H5F3N4O2S3 — CID 100974625

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESNc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1
InChIInChI=1S/C7H5F3N4O2S3/c8-7(9,10)19(15,16)14-6-13-4(2-18-6)3-1-17-5(11)12-3/h1-2H,(H2,11,12)(H,13,14)
InChIKeyMVGSMGYSKJCOFE-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.11
Rot. Bonds3

About N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 100974625) has the molecular formula C7H5F3N4O2S3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID100974625
Molecular FormulaC7H5F3N4O2S3
Molecular Weight330.34 g/mol
Exact Mass329.95
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESNc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1
InChIInChI=1S/C7H5F3N4O2S3/c8-7(9,10)19(15,16)14-6-13-4(2-18-6)3-1-17-5(11)12-3/h1-2H,(H2,11,12)(H,13,14)
InChIKeyMVGSMGYSKJCOFE-UHFFFAOYSA-N
XLogP2.11
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 100974625) is N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide is Nc1nc(-c2csc(NS(=O)(=O)C(F)(F)F)n2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is MVGSMGYSKJCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O2S3/c8-7(9,10)19(15,16)14-6-13-4(2-18-6)3-1-17-5(11)12-3/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 330.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 100974625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).