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

C28H27N5O2S — CID 56600154

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)cc2)ccn1
InChIInChI=1S/C28H27N5O2S/c1-18-14-22(10-12-29-18)20-6-8-21(9-7-20)26(34)30-16-19-4-3-5-23(15-19)27(35)32-28-31-24-11-13-33(2)17-25(24)36-28/h3-10,12,14-15H,11,13,16-17H2,1-2H3,(H,30,34)(H,31,32,35)
InChIKeyRCTFSXDTLDQHHY-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.68
Rot. Bonds6

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

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide (PubChem CID 56600154) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide
PubChem CID56600154
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)cc2)ccn1
InChIInChI=1S/C28H27N5O2S/c1-18-14-22(10-12-29-18)20-6-8-21(9-7-20)26(34)30-16-19-4-3-5-23(15-19)27(35)32-28-31-24-11-13-33(2)17-25(24)36-28/h3-10,12,14-15H,11,13,16-17H2,1-2H3,(H,30,34)(H,31,32,35)
InChIKeyRCTFSXDTLDQHHY-UHFFFAOYSA-N
XLogP4.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide (CID 56600154) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide is Cc1cc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)cc2)ccn1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide?
The InChIKey is RCTFSXDTLDQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-18-14-22(10-12-29-18)20-6-8-21(9-7-20)26(34)30-16-19-4-3-5-23(15-19)27(35)32-28-31-24-11-13-33(2)17-25(24)36-28/h3-10,12,14-15H,11,13,16-17H2,1-2H3,(H,30,34)(H,31,32,35).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide has a molecular weight of 497.62 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-[[[4-(2-methyl-4-pyridinyl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 56600154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).