2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid

C10H13N3O4S — CID 66420176

IUPAC2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nnsc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H13N3O4S/c1-6-9(18-12-11-6)10(16)13-2-3-17-7(5-13)4-8(14)15/h7H,2-5H2,1H3,(H,14,15)
InChIKeyQMDKJLWNTUZCOS-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.16
Rot. Bonds3

About 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66420176) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66420176
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nnsc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H13N3O4S/c1-6-9(18-12-11-6)10(16)13-2-3-17-7(5-13)4-8(14)15/h7H,2-5H2,1H3,(H,14,15)
InChIKeyQMDKJLWNTUZCOS-UHFFFAOYSA-N
XLogP0.16
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119247628
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 81209564
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid (CID 66420176) is 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid is Cc1nnsc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is QMDKJLWNTUZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-6-9(18-12-11-6)10(16)13-2-3-17-7(5-13)4-8(14)15/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 271.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).