tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate

C15H26N4O3S — CID 107648449

IUPACtert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
SMILESCc1nnc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-10(16-13-18-17-11(2)23-13)8-12-9-21-7-6-19(12)14(20)22-15(3,4)5/h10,12H,6-9H2,1-5H3,(H,16,18)
InChIKeyOADQBVYFJDNNFZ-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds4

About tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate

tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate (PubChem CID 107648449) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
PubChem CID107648449
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Nametert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
SMILESCc1nnc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-10(16-13-18-17-11(2)23-13)8-12-9-21-7-6-19(12)14(20)22-15(3,4)5/h10,12H,6-9H2,1-5H3,(H,16,18)
InChIKeyOADQBVYFJDNNFZ-UHFFFAOYSA-N
XLogP2.67
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
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CID 104871875
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CID 113477378
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate (CID 107648449) is tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate is Cc1nnc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate?
The InChIKey is OADQBVYFJDNNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-10(16-13-18-17-11(2)23-13)8-12-9-21-7-6-19(12)14(20)22-15(3,4)5/h10,12H,6-9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate has a molecular weight of 342.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate is sourced from PubChem (CID 107648449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).