2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide

C19H18FN3O2S — CID 121122101

IUPAC2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-17(26-19(23-12)14-5-4-8-21-10-14)11-22-18(24)13(2)25-16-7-3-6-15(20)9-16/h3-10,13H,11H2,1-2H3,(H,22,24)
InChIKeyYOMGKPGHQDUYCD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide

2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 121122101) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID121122101
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-17(26-19(23-12)14-5-4-8-21-10-14)11-22-18(24)13(2)25-16-7-3-6-15(20)9-16/h3-10,13H,11H2,1-2H3,(H,22,24)
InChIKeyYOMGKPGHQDUYCD-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122099
2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122668
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122153
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122269
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide (CID 121122101) is 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide is Cc1nc(-c2cccnc2)sc1CNC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is YOMGKPGHQDUYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-17(26-19(23-12)14-5-4-8-21-10-14)11-22-18(24)13(2)25-16-7-3-6-15(20)9-16/h3-10,13H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide?
2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 121122101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).