N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C26H27N5O3S — CID 88907087

IUPACN-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NC(O)NCCc2ccccc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1
InChIInChI=1S/C26H27N5O3S/c1-16-7-10-19(28-25(33)27-14-13-17-5-3-2-4-6-17)15-21(16)34-22-12-11-20-24(30-22)35-26(29-20)31-23(32)18-8-9-18/h2-7,10-12,15,18,25,27-28,33H,8-9,13-14H2,1H3,(H,29,31,32)
InChIKeyMWMQGQIJTSEOLP-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.66
Rot. Bonds10

About N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 88907087) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID88907087
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC NameN-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NC(O)NCCc2ccccc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1
InChIInChI=1S/C26H27N5O3S/c1-16-7-10-19(28-25(33)27-14-13-17-5-3-2-4-6-17)15-21(16)34-22-12-11-20-24(30-22)35-26(29-20)31-23(32)18-8-9-18/h2-7,10-12,15,18,25,27-28,33H,8-9,13-14H2,1H3,(H,29,31,32)
InChIKeyMWMQGQIJTSEOLP-UHFFFAOYSA-N
XLogP4.66
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide 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

1-cyclopropyl-2-[5-[5-[[hydroxy-[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethanone
CID 58451305
1-[3-[[2-(2-cyclopropyl-2-oxoethyl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-4-methylphenyl]-3-phenylurea
CID 58451250
N-[5-(5-amino-2-methylphenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-methyl-5-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 164947896
N-[5-(5-amino-2-chloro-4-fluorophenoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 86646044
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
3-(2-cyanopropan-2-yl)-N-[3-[[2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-4-methylphenyl]benzamide
CID 59506940
3-(2-cyanopropan-2-yl)-N-[3-[[2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-4-methylphenyl]benzamide;dihydrochloride
CID 87446075
N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 59507013
N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-fluoro-4-iodophenyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 89032922
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[5-[4-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46219901
[4-chloro-2-fluoro-5-[[2-(propanoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]carbamic acid
CID 87446414

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 88907087) is N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccc(NC(O)NCCc2ccccc2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1.
What is the InChIKey of N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MWMQGQIJTSEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-16-7-10-19(28-25(33)27-14-13-17-5-3-2-4-6-17)15-21(16)34-22-12-11-20-24(30-22)35-26(29-20)31-23(32)18-8-9-18/h2-7,10-12,15,18,25,27-28,33H,8-9,13-14H2,1H3,(H,29,31,32).
What are the key properties of N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.66, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[hydroxy-(2-phenylethylamino)methyl]amino]-2-methylphenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 88907087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).