methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate

C11H13N3O3S — CID 101023044

IUPACmethyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C11H13N3O3S/c1-6-8(14-4-5-18-11(14)13-6)9(15)12-7(2)10(16)17-3/h4-5,7H,1-3H3,(H,12,15)/t7-/m0/s1
InChIKeyHCJJPBMKKDEBBP-ZETCQYMHSA-N
MW267.31 g/mol
LogP1.00
Rot. Bonds3

About methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate

methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate (PubChem CID 101023044) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
PubChem CID101023044
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Namemethyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C11H13N3O3S/c1-6-8(14-4-5-18-11(14)13-6)9(15)12-7(2)10(16)17-3/h4-5,7H,1-3H3,(H,12,15)/t7-/m0/s1
InChIKeyHCJJPBMKKDEBBP-ZETCQYMHSA-N
XLogP1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 45195420
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 694638
3,5-dimethyl-N-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioyl)benzamide
CID 5141028
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
CID 82617758
N,6-dimethyl-N-phenylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126470617
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 95726024
6-methyl-N-[3-methyl-2-[(2-phenylbenzoyl)amino]butyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67448084
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate (CID 101023044) is methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1c(C)nc2sccn12.
What is the InChIKey of methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate?
The InChIKey is HCJJPBMKKDEBBP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-8(14-4-5-18-11(14)13-6)9(15)12-7(2)10(16)17-3/h4-5,7H,1-3H3,(H,12,15)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate?
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate has a molecular weight of 267.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 101023044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).