4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

C12H18N2O3S — CID 62764238

IUPAC4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)9-8(10(15)16)18-11(13-9)14-4-6-17-7-5-14/h4-7H2,1-3H3,(H,15,16)
InChIKeyNXKXGSONBFNCIM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.98
Rot. Bonds2

About 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 62764238) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID62764238
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)9-8(10(15)16)18-11(13-9)14-4-6-17-7-5-14/h4-7H2,1-3H3,(H,15,16)
InChIKeyNXKXGSONBFNCIM-UHFFFAOYSA-N
XLogP1.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 62764238) is 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NXKXGSONBFNCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)9-8(10(15)16)18-11(13-9)14-4-6-17-7-5-14/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).