2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H28N4O3S — CID 155493209

IUPAC2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCC[C@@H]1CN(CC(=O)Nc2nnc(COC)s2)C[C@H](C2CC2)O1
InChIInChI=1S/C17H28N4O3S/c1-3-4-5-13-8-21(9-14(24-13)12-6-7-12)10-15(22)18-17-20-19-16(25-17)11-23-2/h12-14H,3-11H2,1-2H3,(H,18,20,22)/t13-,14-/m1/s1
InChIKeyLPLRAMIBHTXNCW-ZIAGYGMSSA-N
MW368.50 g/mol
LogP2.29
Rot. Bonds9

About 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 155493209) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID155493209
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCC[C@@H]1CN(CC(=O)Nc2nnc(COC)s2)C[C@H](C2CC2)O1
InChIInChI=1S/C17H28N4O3S/c1-3-4-5-13-8-21(9-14(24-13)12-6-7-12)10-15(22)18-17-20-19-16(25-17)11-23-2/h12-14H,3-11H2,1-2H3,(H,18,20,22)/t13-,14-/m1/s1
InChIKeyLPLRAMIBHTXNCW-ZIAGYGMSSA-N
XLogP2.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 155493209) is 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCCC[C@@H]1CN(CC(=O)Nc2nnc(COC)s2)C[C@H](C2CC2)O1.
What is the InChIKey of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LPLRAMIBHTXNCW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-3-4-5-13-8-21(9-14(24-13)12-6-7-12)10-15(22)18-17-20-19-16(25-17)11-23-2/h12-14H,3-11H2,1-2H3,(H,18,20,22)/t13-,14-/m1/s1.
What are the key properties of 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 155493209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).