3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine

C21H23FN4OS — CID 157150261

IUPAC3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccc(F)cc4)c3)s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-26-8-6-15(7-9-26)21-25-12-19(28-21)16-10-18(20(23)24-11-16)27-13-14-2-4-17(22)5-3-14/h2-5,10-12,15H,6-9,13H2,1H3,(H2,23,24)
InChIKeyVFZLLOVYOZBLCJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.31
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine

3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 157150261) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID157150261
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccc(F)cc4)c3)s2)CC1
InChIInChI=1S/C21H23FN4OS/c1-26-8-6-15(7-9-26)21-25-12-19(28-21)16-10-18(20(23)24-11-16)27-13-14-2-4-17(22)5-3-14/h2-5,10-12,15H,6-9,13H2,1H3,(H2,23,24)
InChIKeyVFZLLOVYOZBLCJ-UHFFFAOYSA-N
XLogP4.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Analyze 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{3-[({2-Amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-3-yl}oxy)methyl]phenyl}-2-methylbut-3-yn-2-ol
CID 155905549
Hpk1-IN-26
CID 122197569
N-(3-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329397
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
5-[2-(1-Ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
CID 162672976
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1,3-thiazol-2-yl)pyridin-2-amine
CID 54579008
4-(2-methylpropyl)-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742835

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 157150261) is 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine is CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccc(F)cc4)c3)s2)CC1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is VFZLLOVYOZBLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-26-8-6-15(7-9-26)21-25-12-19(28-21)16-10-18(20(23)24-11-16)27-13-14-2-4-17(22)5-3-14/h2-5,10-12,15H,6-9,13H2,1H3,(H2,23,24).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine?
3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 157150261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).