2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid

C14H14N4O4S — CID 120527742

IUPAC2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1
InChIInChI=1S/C14H14N4O4S/c19-12(20)5-9-7-18(3-4-22-9)14(21)11-8-23-13(17-11)10-6-15-1-2-16-10/h1-2,6,8-9H,3-5,7H2,(H,19,20)
InChIKeyWHMPXXBUXDSNTB-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 120527742) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID120527742
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1
InChIInChI=1S/C14H14N4O4S/c19-12(20)5-9-7-18(3-4-22-9)14(21)11-8-23-13(17-11)10-6-15-1-2-16-10/h1-2,6,8-9H,3-5,7H2,(H,19,20)
InChIKeyWHMPXXBUXDSNTB-UHFFFAOYSA-N
XLogP0.92
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
ethyl 5-[2-[1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 4990091
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3854483
(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 166359020
(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 167961691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 120527742) is 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1.
What is the InChIKey of 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is WHMPXXBUXDSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c19-12(20)5-9-7-18(3-4-22-9)14(21)11-8-23-13(17-11)10-6-15-1-2-16-10/h1-2,6,8-9H,3-5,7H2,(H,19,20).
What are the key properties of 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 334.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).