N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

C20H20FN3OS — CID 24986759

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-20(2,3)19(25)24(17-6-4-15(21)5-7-17)12-16-13-26-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyDWIHGAYVZXLXEA-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.92
Rot. Bonds4

About N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 24986759) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID24986759
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-20(2,3)19(25)24(17-6-4-15(21)5-7-17)12-16-13-26-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyDWIHGAYVZXLXEA-UHFFFAOYSA-N
XLogP4.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 24986759) is N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)(C)C(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DWIHGAYVZXLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-20(2,3)19(25)24(17-6-4-15(21)5-7-17)12-16-13-26-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24986759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).