4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid

C13H15N3O3S2 — CID 82902825

IUPAC4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESCc1cn2c(CC(=O)N3CCSCC3C(=O)O)csc2n1
InChIInChI=1S/C13H15N3O3S2/c1-8-5-16-9(6-21-13(16)14-8)4-11(17)15-2-3-20-7-10(15)12(18)19/h5-6,10H,2-4,7H2,1H3,(H,18,19)
InChIKeyVPIPXJCSXXGGHV-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.28
Rot. Bonds3

About 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid

4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid (PubChem CID 82902825) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid
PubChem CID82902825
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid
SMILESCc1cn2c(CC(=O)N3CCSCC3C(=O)O)csc2n1
InChIInChI=1S/C13H15N3O3S2/c1-8-5-16-9(6-21-13(16)14-8)4-11(17)15-2-3-20-7-10(15)12(18)19/h5-6,10H,2-4,7H2,1H3,(H,18,19)
InChIKeyVPIPXJCSXXGGHV-UHFFFAOYSA-N
XLogP1.28
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900693
3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 63146266
4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
4-(2-thiophen-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 78979377
3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one
CID 63606359
4-[3-(2-methylphenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901281
4-(2-pyridin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82900776
4-[2-(4-ethoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979759
4-(4-ethoxy-4-oxobutanoyl)thiomorpholine-3-carboxylic acid
CID 82900928
1-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158589
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
6-methylimidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 28875808

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid (CID 82902825) is 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid is Cc1cn2c(CC(=O)N3CCSCC3C(=O)O)csc2n1.
What is the InChIKey of 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
The InChIKey is VPIPXJCSXXGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-8-5-16-9(6-21-13(16)14-8)4-11(17)15-2-3-20-7-10(15)12(18)19/h5-6,10H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid?
4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid has a molecular weight of 325.42 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82902825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).