2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride

C10H10FN3O3S3 — CID 166407541

IUPAC2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
SMILESCCc1nc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)cs1
InChIInChI=1S/C10H10FN3O3S3/c1-2-8-13-6(5-18-8)3-7(15)14-10-12-4-9(19-10)20(11,16)17/h4-5H,2-3H2,1H3,(H,12,14,15)
InChIKeyXQFNWYQAVOPMPX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.00
Rot. Bonds5

About 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride

2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 166407541) has the molecular formula C10H10FN3O3S3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
PubChem CID166407541
Molecular FormulaC10H10FN3O3S3
Molecular Weight335.41 g/mol
Exact Mass334.99
IUPAC Name2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride
SMILESCCc1nc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)cs1
InChIInChI=1S/C10H10FN3O3S3/c1-2-8-13-6(5-18-8)3-7(15)14-10-12-4-9(19-10)20(11,16)17/h4-5H,2-3H2,1H3,(H,12,14,15)
InChIKeyXQFNWYQAVOPMPX-UHFFFAOYSA-N
XLogP2.00
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride (CID 166407541) is 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride is CCc1nc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)cs1.
What is the InChIKey of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is XQFNWYQAVOPMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S3/c1-2-8-13-6(5-18-8)3-7(15)14-10-12-4-9(19-10)20(11,16)17/h4-5H,2-3H2,1H3,(H,12,14,15).
What are the key properties of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride?
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 335.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 166407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).