[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C14H22N4O2S — CID 155800053

IUPAC[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nnc(N2CCOC(C(=O)N3CCCC3)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-10(2)12-15-16-14(21-12)18-7-8-20-11(9-18)13(19)17-5-3-4-6-17/h10-11H,3-9H2,1-2H3
InChIKeyREAQTVCWVVGFTG-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.49
Rot. Bonds3

About [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800053) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800053
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1nnc(N2CCOC(C(=O)N3CCCC3)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-10(2)12-15-16-14(21-12)18-7-8-20-11(9-18)13(19)17-5-3-4-6-17/h10-11H,3-9H2,1-2H3
InChIKeyREAQTVCWVVGFTG-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800053) is [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is CC(C)c1nnc(N2CCOC(C(=O)N3CCCC3)C2)s1.
What is the InChIKey of [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is REAQTVCWVVGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10(2)12-15-16-14(21-12)18-7-8-20-11(9-18)13(19)17-5-3-4-6-17/h10-11H,3-9H2,1-2H3.
What are the key properties of [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 310.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).