N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide

C15H12ClFN4O2S — CID 86646047

IUPACN-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(Oc3cc(N)c(F)cc3Cl)nc2s1
InChIInChI=1S/C15H12ClFN4O2S/c1-2-12(22)20-15-19-10-3-4-13(21-14(10)24-15)23-11-6-9(18)8(17)5-7(11)16/h3-6H,2,18H2,1H3,(H,19,20,22)
InChIKeyKPZDWKUBHHPAQQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.21
Rot. Bonds4

About N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide

N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide (PubChem CID 86646047) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
PubChem CID86646047
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC NameN-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(Oc3cc(N)c(F)cc3Cl)nc2s1
InChIInChI=1S/C15H12ClFN4O2S/c1-2-12(22)20-15-19-10-3-4-13(21-14(10)24-15)23-11-6-9(18)8(17)5-7(11)16/h3-6H,2,18H2,1H3,(H,19,20,22)
InChIKeyKPZDWKUBHHPAQQ-UHFFFAOYSA-N
XLogP4.21
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide 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-chloro-2-fluoro-5-[[2-(propanoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]carbamic acid
CID 87446414
N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646044
N-[4-chloro-5-[[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluorophenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 59506915
4-chloro-5-[(5-chloro-2-pyridinyl)oxy]-2-fluoroaniline
CID 18402908
tert-butyl N-[5-[(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
CID 91433615
4-chloro-5-[(6-chloro-2-pyridinyl)oxy]-2-fluoroaniline
CID 18402945
N-[5-(4-chloro-2-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-methylbut-3-enamide
CID 11639442
N-[3-[[2-[(2-chloroacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-4-ethylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 86646004
tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
CID 90861006
N-[5-(3-amino-4-fluoroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646062
N-[5-[4-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46219901
2-chloro-N-[3-[[2-[(2-chloroacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 87445766

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide (CID 86646047) is N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide is CCC(=O)Nc1nc2ccc(Oc3cc(N)c(F)cc3Cl)nc2s1.
What is the InChIKey of N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
The InChIKey is KPZDWKUBHHPAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c1-2-12(22)20-15-19-10-3-4-13(21-14(10)24-15)23-11-6-9(18)8(17)5-7(11)16/h3-6H,2,18H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide?
N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide has a molecular weight of 366.81 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 86646047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).