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

C14H17FN2OS — CID 55117716

IUPAC[2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)c2ccc(F)cc2)sc1CO
InChIInChI=1S/C14H17FN2OS/c1-3-4-12-13(9-18)19-14(16-12)17(2)11-7-5-10(15)6-8-11/h5-8,18H,3-4,9H2,1-2H3
InChIKeyRGVTXRXZPPFKAR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds5

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

[2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117716) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID55117716
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name[2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)c2ccc(F)cc2)sc1CO
InChIInChI=1S/C14H17FN2OS/c1-3-4-12-13(9-18)19-14(16-12)17(2)11-7-5-10(15)6-8-11/h5-8,18H,3-4,9H2,1-2H3
InChIKeyRGVTXRXZPPFKAR-UHFFFAOYSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol (CID 55117716) is [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(C)c2ccc(F)cc2)sc1CO.
What is the InChIKey of [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is RGVTXRXZPPFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-4-12-13(9-18)19-14(16-12)17(2)11-7-5-10(15)6-8-11/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).