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

C12H16N2O4S — CID 125119497

IUPAC(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCCCc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-2-3-10-13-6-9(19-10)11(15)14-4-5-18-7-8(14)12(16)17/h6,8H,2-5,7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyWSHJZZUGLLZNGX-QMMMGPOBSA-N
MW284.34 g/mol
LogP1.02
Rot. Bonds4

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

(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125119497) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID125119497
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCCCc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-2-3-10-13-6-9(19-10)11(15)14-4-5-18-7-8(14)12(16)17/h6,8H,2-5,7H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyWSHJZZUGLLZNGX-QMMMGPOBSA-N
XLogP1.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
(2-ethyl-1,3-thiazol-5-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474979
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111560884
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (CID 125119497) is (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is CCCc1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1.
What is the InChIKey of (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is WSHJZZUGLLZNGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-3-10-13-6-9(19-10)11(15)14-4-5-18-7-8(14)12(16)17/h6,8H,2-5,7H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125119497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).