6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H20N4O2S — CID 42290508

IUPAC6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cn3c(C(=O)N(C)Cc4cc(C)no4)csc3n2)c1
InChIInChI=1S/C20H20N4O2S/c1-12-5-6-13(2)16(7-12)17-10-24-18(11-27-20(24)21-17)19(25)23(4)9-15-8-14(3)22-26-15/h5-8,10-11H,9H2,1-4H3
InChIKeyKTVAPLZGTBNHPG-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.25
Rot. Bonds4

About 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42290508) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42290508
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(-c2cn3c(C(=O)N(C)Cc4cc(C)no4)csc3n2)c1
InChIInChI=1S/C20H20N4O2S/c1-12-5-6-13(2)16(7-12)17-10-24-18(11-27-20(24)21-17)19(25)23(4)9-15-8-14(3)22-26-15/h5-8,10-11H,9H2,1-4H3
InChIKeyKTVAPLZGTBNHPG-UHFFFAOYSA-N
XLogP4.25
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95198972
N-(1-amino-1-oxopropan-2-yl)-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56705033
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95198971
6-(2,5-dimethylphenyl)-N-(2-oxooxolan-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45198975
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(2-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56723544
N-methyl-6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 31015741
6-(2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42513190
6-(2-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42530318
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
6-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596781
6-(4-fluorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56711679
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42290508) is 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(C)c(-c2cn3c(C(=O)N(C)Cc4cc(C)no4)csc3n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is KTVAPLZGTBNHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-5-6-13(2)16(7-12)17-10-24-18(11-27-20(24)21-17)19(25)23(4)9-15-8-14(3)22-26-15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42290508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).