morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone

C12H17N3O2S — CID 53015903

IUPACmorpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(N2CCCC2)n1)N1CCOCC1
InChIInChI=1S/C12H17N3O2S/c16-11(14-5-7-17-8-6-14)10-9-18-12(13-10)15-3-1-2-4-15/h9H,1-8H2
InChIKeyKYVFJALQHJCQJB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.22
Rot. Bonds2

About morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone

morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone (PubChem CID 53015903) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone
PubChem CID53015903
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemorpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(N2CCCC2)n1)N1CCOCC1
InChIInChI=1S/C12H17N3O2S/c16-11(14-5-7-17-8-6-14)10-9-18-12(13-10)15-3-1-2-4-15/h9H,1-8H2
InChIKeyKYVFJALQHJCQJB-UHFFFAOYSA-N
XLogP1.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone (CID 53015903) is morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(N2CCCC2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is KYVFJALQHJCQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-11(14-5-7-17-8-6-14)10-9-18-12(13-10)15-3-1-2-4-15/h9H,1-8H2.
What are the key properties of morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone?
morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 53015903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).