(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid

C10H12N2O4S — CID 129397501

IUPAC(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1
InChIInChI=1S/C10H12N2O4S/c1-6-11-4-8(17-6)9(13)12-2-3-16-7(5-12)10(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeySEOYXALNSRVFMR-ZETCQYMHSA-N
MW256.28 g/mol
LogP0.38
Rot. Bonds2

About (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 129397501) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID129397501
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1
InChIInChI=1S/C10H12N2O4S/c1-6-11-4-8(17-6)9(13)12-2-3-16-7(5-12)10(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeySEOYXALNSRVFMR-ZETCQYMHSA-N
XLogP0.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610795
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
[(3R)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 105056306
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129415214
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (CID 129397501) is (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is Cc1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1.
What is the InChIKey of (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is SEOYXALNSRVFMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-6-11-4-8(17-6)9(13)12-2-3-16-7(5-12)10(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129397501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).