1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide

C25H27N5O3S — CID 146653145

IUPAC1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)C3=CC=C(C(=O)NCCN(C)C)CC3)nc12
InChIInChI=1S/C25H27N5O3S/c1-30(2)14-13-26-22(31)17-9-11-18(12-10-17)23(32)29-25-28-20-21(34-25)19(15-27-24(20)33-3)16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3,(H,26,31)(H,28,29,32)
InChIKeyAGXNPXSKZWTKOA-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.63
Rot. Bonds8

About 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide (PubChem CID 146653145) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
PubChem CID146653145
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)C3=CC=C(C(=O)NCCN(C)C)CC3)nc12
InChIInChI=1S/C25H27N5O3S/c1-30(2)14-13-26-22(31)17-9-11-18(12-10-17)23(32)29-25-28-20-21(34-25)19(15-27-24(20)33-3)16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3,(H,26,31)(H,28,29,32)
InChIKeyAGXNPXSKZWTKOA-UHFFFAOYSA-N
XLogP3.63
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
CID 146652560
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 142524457
3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 137474866
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide
CID 146653127
(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
CID 142524403
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 142524386
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 164738799

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide (CID 146653145) is 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)C3=CC=C(C(=O)NCCN(C)C)CC3)nc12.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide?
The InChIKey is AGXNPXSKZWTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-30(2)14-13-26-22(31)17-9-11-18(12-10-17)23(32)29-25-28-20-21(34-25)19(15-27-24(20)33-3)16-7-5-4-6-8-16/h4-9,11,15H,10,12-14H2,1-3H3,(H,26,31)(H,28,29,32).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide is sourced from PubChem (CID 146653145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).