N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide

C25H26N4O4S — CID 59679922

IUPACN-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)cc(-c3nc4ccncc4s3)c2)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4S/c1-29(2)14-15-8-17(25-28-19-6-7-26-13-22(19)34-25)10-18(9-15)27-24(30)16-11-20(31-3)23(33-5)21(12-16)32-4/h6-13H,14H2,1-5H3,(H,27,30)
InChIKeyLSCRFAKWABIHEU-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.70
Rot. Bonds8

About N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide

N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 59679922) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID59679922
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)cc(-c3nc4ccncc4s3)c2)cc(OC)c1OC
InChIInChI=1S/C25H26N4O4S/c1-29(2)14-15-8-17(25-28-19-6-7-26-13-22(19)34-25)10-18(9-15)27-24(30)16-11-20(31-3)23(33-5)21(12-16)32-4/h6-13H,14H2,1-5H3,(H,27,30)
InChIKeyLSCRFAKWABIHEU-UHFFFAOYSA-N
XLogP4.70
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

N-[3-[(dimethylamino)methyl]-6-methyl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohexa-2,4-dien-1-yl]-3,4,5-trimethoxybenzamide
CID 143408417
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364682
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-[3-[(4-amino-3-pyridinyl)sulfanylmethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143409558
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 59679922) is N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(CN(C)C)cc(-c3nc4ccncc4s3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LSCRFAKWABIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-29(2)14-15-8-17(25-28-19-6-7-26-13-22(19)34-25)10-18(9-15)27-24(30)16-11-20(31-3)23(33-5)21(12-16)32-4/h6-13H,14H2,1-5H3,(H,27,30).
What are the key properties of N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 478.57 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 59679922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).