N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C20H15N3O3S — CID 7151281

IUPACN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cn12
InChIInChI=1S/C20H15N3O3S/c1-12-10-27-20-22-16(9-23(12)20)13-3-2-4-15(7-13)21-19(24)14-5-6-17-18(8-14)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)
InChIKeyZNEYTOHQGFOOQU-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.35
Rot. Bonds3

About N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7151281) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7151281
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1csc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cn12
InChIInChI=1S/C20H15N3O3S/c1-12-10-27-20-22-16(9-23(12)20)13-3-2-4-15(7-13)21-19(24)14-5-6-17-18(8-14)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)
InChIKeyZNEYTOHQGFOOQU-UHFFFAOYSA-N
XLogP4.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506297
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42764774
6-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 7151276
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42737773
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 41427141
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
5-chloro-2-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506291
3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506377
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pentanamide
CID 7151267

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7151281) is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide is Cc1csc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cn12.
What is the InChIKey of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZNEYTOHQGFOOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-10-27-20-22-16(9-23(12)20)13-3-2-4-15(7-13)21-19(24)14-5-6-17-18(8-14)26-11-25-17/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7151281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).