2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C22H22N4O3S2 — CID 118618416

IUPAC2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(C)c1nc2sc(C(=O)Nc3ccc(-c4ccc(OC)nc4)cc3)cc2s1
InChIInChI=1S/C22H22N4O3S2/c1-26(10-11-28-2)22-25-21-18(31-22)12-17(30-21)20(27)24-16-7-4-14(5-8-16)15-6-9-19(29-3)23-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)
InChIKeyBUUKIPCMCUPOKV-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.76
Rot. Bonds8

About 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618416) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618416
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC Name2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOCCN(C)c1nc2sc(C(=O)Nc3ccc(-c4ccc(OC)nc4)cc3)cc2s1
InChIInChI=1S/C22H22N4O3S2/c1-26(10-11-28-2)22-25-21-18(31-22)12-17(30-21)20(27)24-16-7-4-14(5-8-16)15-6-9-19(29-3)23-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)
InChIKeyBUUKIPCMCUPOKV-UHFFFAOYSA-N
XLogP4.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetylphenyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60522510
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618637
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
N-(4-methoxyphenyl)-2-propan-2-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618813
N-(6-methoxy-3-pyridinyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9210848
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
4-amino-N-(6-methoxy-3-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61091487
2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 167754168
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593583
2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 134373088
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618416) is 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is COCCN(C)c1nc2sc(C(=O)Nc3ccc(-c4ccc(OC)nc4)cc3)cc2s1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is BUUKIPCMCUPOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c1-26(10-11-28-2)22-25-21-18(31-22)12-17(30-21)20(27)24-16-7-4-14(5-8-16)15-6-9-19(29-3)23-13-15/h4-9,12-13H,10-11H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).