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

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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).