(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid

C12H16N2O4S — CID 120536127

IUPAC(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c(C)s1
InChIInChI=1S/C12H16N2O4S/c1-6-4-14(5-9(18-6)12(16)17)11(15)10-7(2)19-8(3)13-10/h6,9H,4-5H2,1-3H3,(H,16,17)/t6-,9?/m1/s1
InChIKeyCTVJNLRTUPZVJD-VJSCVCEBSA-N
MW284.34 g/mol
LogP1.07
Rot. Bonds2

About (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid

(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536127) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
PubChem CID120536127
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c(C)s1
InChIInChI=1S/C12H16N2O4S/c1-6-4-14(5-9(18-6)12(16)17)11(15)10-7(2)19-8(3)13-10/h6,9H,4-5H2,1-3H3,(H,16,17)/t6-,9?/m1/s1
InChIKeyCTVJNLRTUPZVJD-VJSCVCEBSA-N
XLogP1.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 110465501
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
CID 103932864
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
CID 120536036
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715
4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carbaldehyde
CID 110850068
(6R)-6-methyl-4-(2-methyl-5-nitropyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 120535983
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51389776
4,6-dimethylmorpholine-2-carboxylic acid
CID 84716691

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid (CID 120536127) is (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid is Cc1nc(C(=O)N2CC(C(=O)O)O[C@H](C)C2)c(C)s1.
What is the InChIKey of (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid?
The InChIKey is CTVJNLRTUPZVJD-VJSCVCEBSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-6-4-14(5-9(18-6)12(16)17)11(15)10-7(2)19-8(3)13-10/h6,9H,4-5H2,1-3H3,(H,16,17)/t6-,9?/m1/s1.
What are the key properties of (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid?
(6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).