N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C22H19N3O4S — CID 6619638

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3n2)cc1
InChIInChI=1S/C22H19N3O4S/c1-13-20(21(26)23-15-5-8-18-19(11-15)29-10-9-28-18)30-22-24-17(12-25(13)22)14-3-6-16(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPFQKBLRGEWDXQP-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.40
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 6619638) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID6619638
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3n2)cc1
InChIInChI=1S/C22H19N3O4S/c1-13-20(21(26)23-15-5-8-18-19(11-15)29-10-9-28-18)30-22-24-17(12-25(13)22)14-3-6-16(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPFQKBLRGEWDXQP-UHFFFAOYSA-N
XLogP4.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60599272
6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3308985
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-4-[(4-methoxyphenyl)diazenyl]benzamide
CID 102336284
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164164
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 6619638) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is PFQKBLRGEWDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-13-20(21(26)23-15-5-8-18-19(11-15)29-10-9-28-18)30-22-24-17(12-25(13)22)14-3-6-16(27-2)7-4-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 6619638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).