2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

C12H18N2O3S — CID 58356323

IUPAC2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(CN2CCOCC2)nc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(2)11-10(12(15)16)13-9(18-11)7-14-3-5-17-6-4-14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyLTOLPWXIPAUXDI-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.80
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid

2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 58356323) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID58356323
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1sc(CN2CCOCC2)nc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(2)11-10(12(15)16)13-9(18-11)7-14-3-5-17-6-4-14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyLTOLPWXIPAUXDI-UHFFFAOYSA-N
XLogP1.80
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 58356323) is 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is CC(C)c1sc(CN2CCOCC2)nc1C(=O)O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is LTOLPWXIPAUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)11-10(12(15)16)13-9(18-11)7-14-3-5-17-6-4-14/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid?
2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58356323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).