N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C20H20N4O2S2 — CID 112804880

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3c(C)nc4sc(C)cn34)cs2)cc1
InChIInChI=1S/C20H20N4O2S2/c1-12-9-24-17(13(2)21-20(24)28-12)10-23(3)19(25)16-11-27-18(22-16)14-5-7-15(26-4)8-6-14/h5-9,11H,10H2,1-4H3
InChIKeyRPZZFTHUAJWWAG-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.42
Rot. Bonds5

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 112804880) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID112804880
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3c(C)nc4sc(C)cn34)cs2)cc1
InChIInChI=1S/C20H20N4O2S2/c1-12-9-24-17(13(2)21-20(24)28-12)10-23(3)19(25)16-11-27-18(22-16)14-5-7-15(26-4)8-6-14/h5-9,11H,10H2,1-4H3
InChIKeyRPZZFTHUAJWWAG-UHFFFAOYSA-N
XLogP4.42
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
2-(4-bromophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylacetamide
CID 71943894
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide
CID 112804827
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2,4-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5-fluoro-N-methylbenzamide
CID 112804858
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 112804880) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)Cc3c(C)nc4sc(C)cn34)cs2)cc1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RPZZFTHUAJWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-12-9-24-17(13(2)21-20(24)28-12)10-23(3)19(25)16-11-27-18(22-16)14-5-7-15(26-4)8-6-14/h5-9,11H,10H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112804880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).