N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

C26H26N6O2S — CID 87278841

IUPACN-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1
InChIInChI=1S/C26H26N6O2S/c1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34)
InChIKeyWNMHYVCJLCPXKM-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.79
Rot. Bonds5

About N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 87278841) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID87278841
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1
InChIInChI=1S/C26H26N6O2S/c1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34)
InChIKeyWNMHYVCJLCPXKM-UHFFFAOYSA-N
XLogP4.79
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[3-(piperidin-4-ylcarbamoyl)anilino]-1,3-thiazole-5-carboxamide
CID 135354009
1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea
CID 142682173
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
CID 46988006
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
3-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077581

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (CID 87278841) is N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is WNMHYVCJLCPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34).
What are the key properties of N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 486.60 g/mol, XLogP of 4.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 87278841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).