3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride

C17H15ClN4O2S2 — CID 142611434

IUPAC3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride
SMILES[2H]C([2H])([2H])c1ccc(S(=O)(=O)Cl)cc1-c1cnc(N)c(-c2cnc(C3CC3)s2)n1
InChIInChI=1S/C17H15ClN4O2S2/c1-9-2-5-11(26(18,23)24)6-12(9)13-7-20-16(19)15(22-13)14-8-21-17(25-14)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,19,20)/i1D3
InChIKeyFMLHAALXFJEIIB-FIBGUPNXSA-N
MW409.94 g/mol
LogP3.96
Rot. Bonds5

About 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride

3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride (PubChem CID 142611434) has the molecular formula C17H15ClN4O2S2 and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride
PubChem CID142611434
Molecular FormulaC17H15ClN4O2S2
Molecular Weight409.94 g/mol
Exact Mass409.05
IUPAC Name3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride
SMILES[2H]C([2H])([2H])c1ccc(S(=O)(=O)Cl)cc1-c1cnc(N)c(-c2cnc(C3CC3)s2)n1
InChIInChI=1S/C17H15ClN4O2S2/c1-9-2-5-11(26(18,23)24)6-12(9)13-7-20-16(19)15(22-13)14-8-21-17(25-14)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,19,20)/i1D3
InChIKeyFMLHAALXFJEIIB-FIBGUPNXSA-N
XLogP3.96
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride?
The IUPAC name of 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride (CID 142611434) is 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride is [2H]C([2H])([2H])c1ccc(S(=O)(=O)Cl)cc1-c1cnc(N)c(-c2cnc(C3CC3)s2)n1.
What is the InChIKey of 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride?
The InChIKey is FMLHAALXFJEIIB-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H15ClN4O2S2/c1-9-2-5-11(26(18,23)24)6-12(9)13-7-20-16(19)15(22-13)14-8-21-17(25-14)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,19,20)/i1D3.
What are the key properties of 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride?
3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride has a molecular weight of 409.94 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride is sourced from PubChem (CID 142611434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).