2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide

C11H18N4OS2 — CID 106325273

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1nc(CC(=O)NCCN2CCSCC2)cs1
InChIInChI=1S/C11H18N4OS2/c12-11-14-9(8-18-11)7-10(16)13-1-2-15-3-5-17-6-4-15/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyGMZWDAQBHJTLKK-UHFFFAOYSA-N
MW286.43 g/mol
LogP0.43
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 106325273) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID106325273
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESNc1nc(CC(=O)NCCN2CCSCC2)cs1
InChIInChI=1S/C11H18N4OS2/c12-11-14-9(8-18-11)7-10(16)13-1-2-15-3-5-17-6-4-15/h8H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyGMZWDAQBHJTLKK-UHFFFAOYSA-N
XLogP0.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106326607
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
4-(2-thiomorpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 65484449
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 143940582
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide (CID 106325273) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide is Nc1nc(CC(=O)NCCN2CCSCC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is GMZWDAQBHJTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c12-11-14-9(8-18-11)7-10(16)13-1-2-15-3-5-17-6-4-15/h8H,1-7H2,(H2,12,14)(H,13,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 286.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 106325273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).