6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

C21H21N3O4S — CID 97047572

IUPAC6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)N[C@@H](C)c2ccccc2)CCS3(=O)=O)c1
InChIInChI=1S/C21H21N3O4S/c1-14(15-7-4-3-5-8-15)22-20(25)19-18(16-9-6-10-17(13-16)28-2)23-21-24(19)11-12-29(21,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyRBNKNBYOYTUCGO-AWEZNQCLSA-N
MW411.48 g/mol
LogP2.84
Rot. Bonds5

About 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 97047572) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID97047572
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3n(c2C(=O)N[C@@H](C)c2ccccc2)CCS3(=O)=O)c1
InChIInChI=1S/C21H21N3O4S/c1-14(15-7-4-3-5-8-15)22-20(25)19-18(16-9-6-10-17(13-16)28-2)23-21-24(19)11-12-29(21,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyRBNKNBYOYTUCGO-AWEZNQCLSA-N
XLogP2.84
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-methoxyethyl)-6-(3-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749811
6-(3-methoxyphenyl)-1,1-dioxo-N-propyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749721
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
N-(3,5-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749624
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947
3-ethyl-5-(4-fluoro-3-methylphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-phenylimidazole-4-carboxamide;molecular hydrogen
CID 161037004
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
(1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-morpholin-4-ylmethanone
CID 50749892
4-[(1S)-1-[[3-[(4-methoxyphenyl)methyl]-5-phenyltriazole-4-carbonyl]amino]ethyl]benzoic acid
CID 155528854

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 97047572) is 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3n(c2C(=O)N[C@@H](C)c2ccccc2)CCS3(=O)=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RBNKNBYOYTUCGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14(15-7-4-3-5-8-15)22-20(25)19-18(16-9-6-10-17(13-16)28-2)23-21-24(19)11-12-29(21,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1,1-dioxo-N-[(1S)-1-phenylethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 97047572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).