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

C21H17N3O3S — CID 3239406

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C21H17N3O3S/c1-13-19(20(25)22-15-7-8-17-18(11-15)27-10-9-26-17)28-21-23-16(12-24(13)21)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyJXUCHAKTXGLSLB-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.39
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3239406) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3239406
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C21H17N3O3S/c1-13-19(20(25)22-15-7-8-17-18(11-15)27-10-9-26-17)28-21-23-16(12-24(13)21)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,25)
InChIKeyJXUCHAKTXGLSLB-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3239406) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is JXUCHAKTXGLSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-13-19(20(25)22-15-7-8-17-18(11-15)27-10-9-26-17)28-21-23-16(12-24(13)21)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3239406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).