3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one

C10H10ClFN2O2S — CID 89488266

IUPAC3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one
SMILESO=C1C=C(NC(CF)Cc2cnc(Cl)s2)CO1
InChIInChI=1S/C10H10ClFN2O2S/c11-10-13-4-8(17-10)1-6(3-12)14-7-2-9(15)16-5-7/h2,4,6,14H,1,3,5H2
InChIKeyZSFQBYYZFMSMPQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP1.71
Rot. Bonds5

About 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one

3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one (PubChem CID 89488266) has the molecular formula C10H10ClFN2O2S and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one.

Molecular Properties

Compound Name3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one
PubChem CID89488266
Molecular FormulaC10H10ClFN2O2S
Molecular Weight276.72 g/mol
Exact Mass276.01
IUPAC Name3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one
SMILESO=C1C=C(NC(CF)Cc2cnc(Cl)s2)CO1
InChIInChI=1S/C10H10ClFN2O2S/c11-10-13-4-8(17-10)1-6(3-12)14-7-2-9(15)16-5-7/h2,4,6,14H,1,3,5H2
InChIKeyZSFQBYYZFMSMPQ-UHFFFAOYSA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one?
The IUPAC name of 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one (CID 89488266) is 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one.
What is the SMILES notation for 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one?
The canonical SMILES for 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one is O=C1C=C(NC(CF)Cc2cnc(Cl)s2)CO1.
What is the InChIKey of 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one?
The InChIKey is ZSFQBYYZFMSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2S/c11-10-13-4-8(17-10)1-6(3-12)14-7-2-9(15)16-5-7/h2,4,6,14H,1,3,5H2.
What are the key properties of 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one?
3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one has a molecular weight of 276.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chloro-1,3-thiazol-5-yl)-3-fluoropropan-2-yl]amino]-2H-furan-5-one is sourced from PubChem (CID 89488266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).