[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol

C13H15FN2OS — CID 55117907

IUPAC[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)c2cccc(F)c2)sc1CO
InChIInChI=1S/C13H15FN2OS/c1-3-11-12(8-17)18-13(15-11)16(2)10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeySNPPCDPNAXLDTP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.10
Rot. Bonds4

About [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol

[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol (PubChem CID 55117907) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol
PubChem CID55117907
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)c2cccc(F)c2)sc1CO
InChIInChI=1S/C13H15FN2OS/c1-3-11-12(8-17)18-13(15-11)16(2)10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3
InChIKeySNPPCDPNAXLDTP-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol (CID 55117907) is [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol is CCc1nc(N(C)c2cccc(F)c2)sc1CO.
What is the InChIKey of [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol?
The InChIKey is SNPPCDPNAXLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-3-11-12(8-17)18-13(15-11)16(2)10-6-4-5-9(14)7-10/h4-7,17H,3,8H2,1-2H3.
What are the key properties of [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(3-fluoro-N-methylanilino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).