N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H16N4O4S2 — CID 50749873

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(-c4ccccc4)nc4n3CCS4(=O)=O)sc2c1
InChIInChI=1S/C20H16N4O4S2/c1-28-13-7-8-14-15(11-13)29-19(21-14)23-18(25)17-16(12-5-3-2-4-6-12)22-20-24(17)9-10-30(20,26)27/h2-8,11H,9-10H2,1H3,(H,21,23,25)
InChIKeySTXIAKWALRLJMC-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.21
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 50749873) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID50749873
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(-c4ccccc4)nc4n3CCS4(=O)=O)sc2c1
InChIInChI=1S/C20H16N4O4S2/c1-28-13-7-8-14-15(11-13)29-19(21-14)23-18(25)17-16(12-5-3-2-4-6-12)22-20-24(17)9-10-30(20,26)27/h2-8,11H,9-10H2,1H3,(H,21,23,25)
InChIKeySTXIAKWALRLJMC-UHFFFAOYSA-N
XLogP3.21
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-methoxyphenyl)-1,1-dioxo-N-(1-phenylethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749845
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803346
N-(2-methoxyethyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749811
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
3-(2-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87394940
1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
CID 24631899

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 50749873) is N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc2nc(NC(=O)c3c(-c4ccccc4)nc4n3CCS4(=O)=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is STXIAKWALRLJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c1-28-13-7-8-14-15(11-13)29-19(21-14)23-18(25)17-16(12-5-3-2-4-6-12)22-20-24(17)9-10-30(20,26)27/h2-8,11H,9-10H2,1H3,(H,21,23,25).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50749873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).