3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol

C13H12F2N2OS — CID 123550387

IUPAC3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol
SMILESC=C(c1csc(Nc2ccc(F)cc2F)n1)C(C)O
InChIInChI=1S/C13H12F2N2OS/c1-7(8(2)18)12-6-19-13(17-12)16-11-4-3-9(14)5-10(11)15/h3-6,8,18H,1H2,2H3,(H,16,17)
InChIKeyCZTHAPYUPRWMIV-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.56
Rot. Bonds4

About 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol

3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol (PubChem CID 123550387) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol.

Molecular Properties

Compound Name3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol
PubChem CID123550387
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol
SMILESC=C(c1csc(Nc2ccc(F)cc2F)n1)C(C)O
InChIInChI=1S/C13H12F2N2OS/c1-7(8(2)18)12-6-19-13(17-12)16-11-4-3-9(14)5-10(11)15/h3-6,8,18H,1H2,2H3,(H,16,17)
InChIKeyCZTHAPYUPRWMIV-UHFFFAOYSA-N
XLogP3.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 80567861
methyl 2-(4-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 113307015
2-(2,3,4-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 79023733
ethyl 2-(2-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 80567882
N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214646
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
2-(5-bromo-2,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 102855379
N-(2,4-difluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 3620321
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
2-[2-(2,4-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065143

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol?
The IUPAC name of 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol (CID 123550387) is 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol.
What is the SMILES notation for 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol?
The canonical SMILES for 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol is C=C(c1csc(Nc2ccc(F)cc2F)n1)C(C)O.
What is the InChIKey of 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol?
The InChIKey is CZTHAPYUPRWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-7(8(2)18)12-6-19-13(17-12)16-11-4-3-9(14)5-10(11)15/h3-6,8,18H,1H2,2H3,(H,16,17).
What are the key properties of 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol?
3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol has a molecular weight of 282.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol is sourced from PubChem (CID 123550387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).