N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide

C28H27N5O3S — CID 56598442

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1
InChIInChI=1S/C28H27N5O3S/c1-32-13-11-22-25(16-32)37-28(30-22)31-26(34)21-5-2-4-20(14-21)23-6-3-12-33(23)27(35)19-9-7-18(8-10-19)24-15-29-17-36-24/h2,4-5,7-10,14-15,17,23H,3,6,11-13,16H2,1H3,(H,30,31,34)/t23-/m1/s1
InChIKeyQIRZCMIKRKUWGR-HSZRJFAPSA-N
MW513.62 g/mol
LogP5.02
Rot. Bonds5

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide (PubChem CID 56598442) has the molecular formula C28H27N5O3S and a molecular weight of 513.62 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide
PubChem CID56598442
Molecular FormulaC28H27N5O3S
Molecular Weight513.62 g/mol
Exact Mass513.18
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1
InChIInChI=1S/C28H27N5O3S/c1-32-13-11-22-25(16-32)37-28(30-22)31-26(34)21-5-2-4-20(14-21)23-6-3-12-33(23)27(35)19-9-7-18(8-10-19)24-15-29-17-36-24/h2,4-5,7-10,14-15,17,23H,3,6,11-13,16H2,1H3,(H,30,31,34)/t23-/m1/s1
InChIKeyQIRZCMIKRKUWGR-HSZRJFAPSA-N
XLogP5.02
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide (CID 56598442) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide is CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The InChIKey is QIRZCMIKRKUWGR-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27N5O3S/c1-32-13-11-22-25(16-32)37-28(30-22)31-26(34)21-5-2-4-20(14-21)23-6-3-12-33(23)27(35)19-9-7-18(8-10-19)24-15-29-17-36-24/h2,4-5,7-10,14-15,17,23H,3,6,11-13,16H2,1H3,(H,30,31,34)/t23-/m1/s1.
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide has a molecular weight of 513.62 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide is sourced from PubChem (CID 56598442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).