(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol

C10H14F2N2O3S — CID 163484314

IUPAC(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol
SMILESCOC(C)Nc1ncc(C(O)/C=C(\O)C(F)F)s1
InChIInChI=1S/C10H14F2N2O3S/c1-5(17-2)14-10-13-4-8(18-10)6(15)3-7(16)9(11)12/h3-6,9,15-16H,1-2H3,(H,13,14)/b7-3-
InChIKeyCHGGKABYDZCCBG-CLTKARDFSA-N
MW280.30 g/mol
LogP2.29
Rot. Bonds6

About (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol

(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol (PubChem CID 163484314) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol
PubChem CID163484314
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol
SMILESCOC(C)Nc1ncc(C(O)/C=C(\O)C(F)F)s1
InChIInChI=1S/C10H14F2N2O3S/c1-5(17-2)14-10-13-4-8(18-10)6(15)3-7(16)9(11)12/h3-6,9,15-16H,1-2H3,(H,13,14)/b7-3-
InChIKeyCHGGKABYDZCCBG-CLTKARDFSA-N
XLogP2.29
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86591941
1-[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752654
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753171
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753515
1-[2-[Methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 65532123
1-[2-[2,2-Difluoroethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 116318311
1-[2-(Methylamino)-1,3-thiazol-5-yl]ethanol
CID 22081012
1-[2-(Methylamino)-1,3-thiazol-5-yl]ethanol;tungsten
CID 22081013

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol?
The IUPAC name of (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol (CID 163484314) is (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol.
What is the SMILES notation for (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol?
The canonical SMILES for (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol is COC(C)Nc1ncc(C(O)/C=C(\O)C(F)F)s1.
What is the InChIKey of (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol?
The InChIKey is CHGGKABYDZCCBG-CLTKARDFSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-5(17-2)14-10-13-4-8(18-10)6(15)3-7(16)9(11)12/h3-6,9,15-16H,1-2H3,(H,13,14)/b7-3-.
What are the key properties of (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol?
(Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol has a molecular weight of 280.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-1-[2-(1-methoxyethylamino)-1,3-thiazol-5-yl]but-2-ene-1,3-diol is sourced from PubChem (CID 163484314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).