2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid

C12H14N4O3S — CID 166398790

IUPAC2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C2CN(Cc3ncc[nH]3)CCO2)n1
InChIInChI=1S/C12H14N4O3S/c17-12(18)8-7-20-11(15-8)9-5-16(3-4-19-9)6-10-13-1-2-14-10/h1-2,7,9H,3-6H2,(H,13,14)(H,17,18)
InChIKeyLVMDTFGHDGLOAY-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.14
Rot. Bonds4

About 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid

2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 166398790) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID166398790
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C2CN(Cc3ncc[nH]3)CCO2)n1
InChIInChI=1S/C12H14N4O3S/c17-12(18)8-7-20-11(15-8)9-5-16(3-4-19-9)6-10-13-1-2-14-10/h1-2,7,9H,3-6H2,(H,13,14)(H,17,18)
InChIKeyLVMDTFGHDGLOAY-UHFFFAOYSA-N
XLogP1.14
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939802
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
6-chloro-2-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 136801819
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
CID 99843497
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid (CID 166398790) is 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C2CN(Cc3ncc[nH]3)CCO2)n1.
What is the InChIKey of 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LVMDTFGHDGLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c17-12(18)8-7-20-11(15-8)9-5-16(3-4-19-9)6-10-13-1-2-14-10/h1-2,7,9H,3-6H2,(H,13,14)(H,17,18).
What are the key properties of 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166398790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).