2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H16N4O2S2 — CID 95137831

IUPAC2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1csc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n1
InChIInChI=1S/C13H16N4O2S2/c1-9-8-21-12(15-9)10-6-17(3-4-19-10)7-11(18)16-13-14-2-5-20-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16,18)/t10-/m0/s1
InChIKeyHQNNMTQLJKKGGO-JTQLQIEISA-N
MW324.43 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95137831) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95137831
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1csc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n1
InChIInChI=1S/C13H16N4O2S2/c1-9-8-21-12(15-9)10-6-17(3-4-19-10)7-11(18)16-13-14-2-5-20-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16,18)/t10-/m0/s1
InChIKeyHQNNMTQLJKKGGO-JTQLQIEISA-N
XLogP1.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
N-(furan-2-ylmethyl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95137604
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 97059660
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 91837781
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 86775067
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638362
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95137831) is 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1csc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HQNNMTQLJKKGGO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-9-8-21-12(15-9)10-6-17(3-4-19-10)7-11(18)16-13-14-2-5-20-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,14,16,18)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95137831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).