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

C13H20N2O3S — CID 21415076

IUPAC1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OC(C)C2CNCCO2)s1
InChIInChI=1S/C13H20N2O3S/c1-3-4-12-15-8-11(19-12)13(16)18-9(2)10-7-14-5-6-17-10/h8-10,14H,3-7H2,1-2H3
InChIKeyQIBCVLVRRPAQQO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.63
Rot. Bonds5

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

1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 21415076) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
PubChem CID21415076
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OC(C)C2CNCCO2)s1
InChIInChI=1S/C13H20N2O3S/c1-3-4-12-15-8-11(19-12)13(16)18-9(2)10-7-14-5-6-17-10/h8-10,14H,3-7H2,1-2H3
InChIKeyQIBCVLVRRPAQQO-UHFFFAOYSA-N
XLogP1.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-2-ylethyl decanoate
CID 174600549
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
1-morpholin-2-ylethyl prop-2-enoate
CID 22556289
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120878160
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
1-(1-morpholin-2-ylethoxy)ethanol
CID 18790491
ethoxy-methyl-(1-morpholin-2-ylethoxy)-propylsilane
CID 174627480
2-(1-pyrimidin-2-ylethyl)morpholine
CID 174892911
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
O-[1-[(2R)-morpholin-2-yl]ethyl]hydroxylamine
CID 89160024
N,N-dimethyl-1-(1-morpholin-2-ylethoxy)propan-1-amine
CID 175487293

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate (CID 21415076) is 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate is CCCc1ncc(C(=O)OC(C)C2CNCCO2)s1.
What is the InChIKey of 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is QIBCVLVRRPAQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-12-15-8-11(19-12)13(16)18-9(2)10-7-14-5-6-17-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate?
1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylethyl 2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 21415076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).