N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

C18H16FN3O2S — CID 176599307

IUPACN-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(c2ccccn2)c2cc(F)ccc2O)c(C)s1
InChIInChI=1S/C18H16FN3O2S/c1-10-16(21-11(2)25-10)18(24)22-17(14-5-3-4-8-20-14)13-9-12(19)6-7-15(13)23/h3-9,17,23H,1-2H3,(H,22,24)
InChIKeyUAKGODPMIPNLKZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.52
Rot. Bonds4

About N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 176599307) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID176599307
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(c2ccccn2)c2cc(F)ccc2O)c(C)s1
InChIInChI=1S/C18H16FN3O2S/c1-10-16(21-11(2)25-10)18(24)22-17(14-5-3-4-8-20-14)13-9-12(19)6-7-15(13)23/h3-9,17,23H,1-2H3,(H,22,24)
InChIKeyUAKGODPMIPNLKZ-UHFFFAOYSA-N
XLogP3.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 176599307) is N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(c2ccccn2)c2cc(F)ccc2O)c(C)s1.
What is the InChIKey of N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is UAKGODPMIPNLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10-16(21-11(2)25-10)18(24)22-17(14-5-3-4-8-20-14)13-9-12(19)6-7-15(13)23/h3-9,17,23H,1-2H3,(H,22,24).
What are the key properties of N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 176599307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).