N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H22N4O2S — CID 95198971

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(C(=O)c1csc2nc(-c3cc(C)ccc3C)cn12)[C@@H](C)C(N)=O
InChIInChI=1S/C19H22N4O2S/c1-5-22(13(4)17(20)24)18(25)16-10-26-19-21-15(9-23(16)19)14-8-11(2)6-7-12(14)3/h6-10,13H,5H2,1-4H3,(H2,20,24)/t13-/m0/s1
InChIKeyCOEUKSBPLUTSHG-ZDUSSCGKSA-N
MW370.48 g/mol
LogP3.02
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 95198971) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID95198971
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(C(=O)c1csc2nc(-c3cc(C)ccc3C)cn12)[C@@H](C)C(N)=O
InChIInChI=1S/C19H22N4O2S/c1-5-22(13(4)17(20)24)18(25)16-10-26-19-21-15(9-23(16)19)14-8-11(2)6-7-12(14)3/h6-10,13H,5H2,1-4H3,(H2,20,24)/t13-/m0/s1
InChIKeyCOEUKSBPLUTSHG-ZDUSSCGKSA-N
XLogP3.02
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 95198971) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide is CCN(C(=O)c1csc2nc(-c3cc(C)ccc3C)cn12)[C@@H](C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is COEUKSBPLUTSHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-5-22(13(4)17(20)24)18(25)16-10-26-19-21-15(9-23(16)19)14-8-11(2)6-7-12(14)3/h6-10,13H,5H2,1-4H3,(H2,20,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(2,5-dimethylphenyl)-N-ethylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 95198971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).