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

C14H20N4O2S — CID 155800051

IUPAC[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2nnc(C3CC3)s2)CCO1)N1CCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(17-5-1-2-6-17)11-9-18(7-8-20-11)14-16-15-12(21-14)10-3-4-10/h10-11H,1-9H2
InChIKeyBFSQBZZKTLKJFQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.24
Rot. Bonds3

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

[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800051) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800051
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2nnc(C3CC3)s2)CCO1)N1CCCC1
InChIInChI=1S/C14H20N4O2S/c19-13(17-5-1-2-6-17)11-9-18(7-8-20-11)14-16-15-12(21-14)10-3-4-10/h10-11H,1-9H2
InChIKeyBFSQBZZKTLKJFQ-UHFFFAOYSA-N
XLogP1.24
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800051) is [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2nnc(C3CC3)s2)CCO1)N1CCCC1.
What is the InChIKey of [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BFSQBZZKTLKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-13(17-5-1-2-6-17)11-9-18(7-8-20-11)14-16-15-12(21-14)10-3-4-10/h10-11H,1-9H2.
What are the key properties of [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.41 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).