2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate

C13H20N2O3S — CID 54314232

IUPAC2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCCN2CCOCC2)s1
InChIInChI=1S/C13H20N2O3S/c1-2-3-12-14-10-11(19-12)13(16)18-9-6-15-4-7-17-8-5-15/h10H,2-9H2,1H3
InChIKeySNAFAWKSZSGARY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.58
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate

2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 54314232) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
PubChem CID54314232
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCCN2CCOCC2)s1
InChIInChI=1S/C13H20N2O3S/c1-2-3-12-14-10-11(19-12)13(16)18-9-6-15-4-7-17-8-5-15/h10H,2-9H2,1H3
InChIKeySNAFAWKSZSGARY-UHFFFAOYSA-N
XLogP1.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate (CID 54314232) is 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate is CCCc1ncc(C(=O)OCCN2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is SNAFAWKSZSGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-3-12-14-10-11(19-12)13(16)18-9-6-15-4-7-17-8-5-15/h10H,2-9H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54314232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).