N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide

C20H25N3OS — CID 112804827

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2c(C)nc3sc(C)cn23)cc1
InChIInChI=1S/C20H25N3OS/c1-5-16-6-8-17(9-7-16)10-11-19(24)22(4)13-18-15(3)21-20-23(18)12-14(2)25-20/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyCPWBRMMIZSZXAD-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.17
Rot. Bonds6

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide (PubChem CID 112804827) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide
PubChem CID112804827
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(C)Cc2c(C)nc3sc(C)cn23)cc1
InChIInChI=1S/C20H25N3OS/c1-5-16-6-8-17(9-7-16)10-11-19(24)22(4)13-18-15(3)21-20-23(18)12-14(2)25-20/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeyCPWBRMMIZSZXAD-UHFFFAOYSA-N
XLogP4.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide (CID 112804827) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide is CCc1ccc(CCC(=O)N(C)Cc2c(C)nc3sc(C)cn23)cc1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide?
The InChIKey is CPWBRMMIZSZXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-5-16-6-8-17(9-7-16)10-11-19(24)22(4)13-18-15(3)21-20-23(18)12-14(2)25-20/h6-9,12H,5,10-11,13H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-ethylphenyl)-N-methylpropanamide has a molecular weight of 355.51 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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]-3-(4-ethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 112804827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).