N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide

C21H17N3O3S — CID 121031173

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4cn5c(n4)SCC5)c3)oc12
InChIInChI=1S/C21H17N3O3S/c1-26-17-7-3-5-14-11-18(27-19(14)17)20(25)22-15-6-2-4-13(10-15)16-12-24-8-9-28-21(24)23-16/h2-7,10-12H,8-9H2,1H3,(H,22,25)
InChIKeyNAKRVENPTZVBOH-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.66
Rot. Bonds4

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 121031173) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID121031173
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(-c4cn5c(n4)SCC5)c3)oc12
InChIInChI=1S/C21H17N3O3S/c1-26-17-7-3-5-14-11-18(27-19(14)17)20(25)22-15-6-2-4-13(10-15)16-12-24-8-9-28-21(24)23-16/h2-7,10-12H,8-9H2,1H3,(H,22,25)
InChIKeyNAKRVENPTZVBOH-UHFFFAOYSA-N
XLogP4.66
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 40506234
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121031180
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
2-(3-bromophenyl)-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 40506227
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121031089
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 40506233
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121031083

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 121031173) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(-c4cn5c(n4)SCC5)c3)oc12.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is NAKRVENPTZVBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-17-7-3-5-14-11-18(27-19(14)17)20(25)22-15-6-2-4-13(10-15)16-12-24-8-9-28-21(24)23-16/h2-7,10-12H,8-9H2,1H3,(H,22,25).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121031173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).