2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid

C11H18N4O2S2 — CID 114174029

IUPAC2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H18N4O2S2/c12-9(10(16)17)8-7-19-11(14-8)13-1-2-15-3-5-18-6-4-15/h7,9H,1-6,12H2,(H,13,14)(H,16,17)
InChIKeyYFPARWNWVKMZIN-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.69
Rot. Bonds6

About 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 114174029) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID114174029
Molecular FormulaC11H18N4O2S2
Molecular Weight302.42 g/mol
Exact Mass302.09
IUPAC Name2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H18N4O2S2/c12-9(10(16)17)8-7-19-11(14-8)13-1-2-15-3-5-18-6-4-15/h7,9H,1-6,12H2,(H,13,14)(H,16,17)
InChIKeyYFPARWNWVKMZIN-UHFFFAOYSA-N
XLogP0.69
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid (CID 114174029) is 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(NCCN2CCSCC2)n1.
What is the InChIKey of 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YFPARWNWVKMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c12-9(10(16)17)8-7-19-11(14-8)13-1-2-15-3-5-18-6-4-15/h7,9H,1-6,12H2,(H,13,14)(H,16,17).
What are the key properties of 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 302.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 114174029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).