2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride

C7H7FN2O3S2 — CID 165452655

IUPAC2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride
SMILESO=C(Nc1ncc(S(=O)(=O)F)s1)C1CC1
InChIInChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-9-7(14-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyCDVFTYXOZWAGEN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.15
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride

2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride (PubChem CID 165452655) has the molecular formula C7H7FN2O3S2 and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride
PubChem CID165452655
Molecular FormulaC7H7FN2O3S2
Molecular Weight250.28 g/mol
Exact Mass249.99
IUPAC Name2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride
SMILESO=C(Nc1ncc(S(=O)(=O)F)s1)C1CC1
InChIInChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-9-7(14-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyCDVFTYXOZWAGEN-UHFFFAOYSA-N
XLogP1.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride?
The IUPAC name of 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride (CID 165452655) is 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride is O=C(Nc1ncc(S(=O)(=O)F)s1)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride?
The InChIKey is CDVFTYXOZWAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3S2/c8-15(12,13)5-3-9-7(14-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride?
2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride has a molecular weight of 250.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-1,3-thiazole-5-sulfonyl fluoride is sourced from PubChem (CID 165452655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).