N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C23H22N6O4S — CID 171560049

IUPACN-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc4ccnc(OC5CCC5)c4s3)c2)no1
InChIInChI=1S/C23H22N6O4S/c1-13-26-20(29-33-13)14-4-2-5-15(12-14)21(31)24-11-9-18(30)28-23-27-17-8-10-25-22(19(17)34-23)32-16-6-3-7-16/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,24,31)(H,27,28,30)
InChIKeyPQKXWPFXQNJLLM-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.74
Rot. Bonds8

About N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 171560049) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID171560049
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC NameN-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc4ccnc(OC5CCC5)c4s3)c2)no1
InChIInChI=1S/C23H22N6O4S/c1-13-26-20(29-33-13)14-4-2-5-15(12-14)21(31)24-11-9-18(30)28-23-27-17-8-10-25-22(19(17)34-23)32-16-6-3-7-16/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,24,31)(H,27,28,30)
InChIKeyPQKXWPFXQNJLLM-UHFFFAOYSA-N
XLogP3.74
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide with MolForge

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Related Compounds

ethyl 2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 168974399
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 168974642
azane;N-[3-[[5-[(E)-3-methoxyprop-1-enyl]-4-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 175917675
N-methylpropan-1-amine;propyl 4-methyl-2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-1,3-thiazole-5-carboxylate
CID 168974367
methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
CID 168974513
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
N-[3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17483763
N-[4-fluoro-7-(3-fluoropropoxy)-1,3-benzothiazol-2-yl]-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanamide
CID 171560039
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
ethyl 4-methyl-2-[[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-piperidin-4-ylpropanoyl]amino]-1,3-thiazole-5-carboxylate;formic acid
CID 174051162

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 171560049) is N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCCC(=O)Nc3nc4ccnc(OC5CCC5)c4s3)c2)no1.
What is the InChIKey of N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is PQKXWPFXQNJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-13-26-20(29-33-13)14-4-2-5-15(12-14)21(31)24-11-9-18(30)28-23-27-17-8-10-25-22(19(17)34-23)32-16-6-3-7-16/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,24,31)(H,27,28,30).
What are the key properties of N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 478.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 171560049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).