2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid

C11H14N2O3S2 — CID 103790667

IUPAC2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCc1ncc(C(=O)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C11H14N2O3S2/c1-7-12-5-9(18-7)11(16)13-2-3-17-6-8(13)4-10(14)15/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyUYFIJWJNTHFBCN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 103790667) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID103790667
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCc1ncc(C(=O)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C11H14N2O3S2/c1-7-12-5-9(18-7)11(16)13-2-3-17-6-8(13)4-10(14)15/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyUYFIJWJNTHFBCN-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid (CID 103790667) is 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid is Cc1ncc(C(=O)N2CCSCC2CC(=O)O)s1.
What is the InChIKey of 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is UYFIJWJNTHFBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-7-12-5-9(18-7)11(16)13-2-3-17-6-8(13)4-10(14)15/h5,8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 286.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-thiazole-5-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 103790667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).