N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

C24H21N5O4S — CID 42165056

IUPACN-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccsc3n1)C2
InChIInChI=1S/C24H21N5O4S/c1-14-18(10-26-22(30)15-2-3-20-21(8-15)33-13-32-20)17-4-5-28(11-16(17)9-25-14)23(31)19-12-29-6-7-34-24(29)27-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,26,30)
InChIKeyALNGPLYEKOVBKJ-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.96
Rot. Bonds4

About N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42165056) has the molecular formula C24H21N5O4S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42165056
Molecular FormulaC24H21N5O4S
Molecular Weight475.53 g/mol
Exact Mass475.13
IUPAC NameN-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccsc3n1)C2
InChIInChI=1S/C24H21N5O4S/c1-14-18(10-26-22(30)15-2-3-20-21(8-15)33-13-32-20)17-4-5-28(11-16(17)9-25-14)23(31)19-12-29-6-7-34-24(29)27-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,26,30)
InChIKeyALNGPLYEKOVBKJ-UHFFFAOYSA-N
XLogP2.96
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5310080
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,4-dimethoxybenzamide
CID 7151241
N-[[3-methyl-7-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42277227
N-[3-[[amino-[(3,4,5-trimethoxybenzoyl)amino]methylidene]amino]phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 136244207
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49778730
3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25232898
3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233063
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 25233065
2-[4-[4-[6-(1,3-Benzodioxol-5-ylmethylcarbamoyl)imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]cyclohexyl]acetic acid
CID 71696247
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide
CID 3242965
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5310146

Frequently Asked Questions

What is the IUPAC name of N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42165056) is N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cn3ccsc3n1)C2.
What is the InChIKey of N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ALNGPLYEKOVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S/c1-14-18(10-26-22(30)15-2-3-20-21(8-15)33-13-32-20)17-4-5-28(11-16(17)9-25-14)23(31)19-12-29-6-7-34-24(29)27-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,26,30).
What are the key properties of N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42165056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).