[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

C20H25N3O2S — CID 126786163

IUPAC[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(C2COCCN2Cc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C20H25N3O2S/c1-15-14-26-19(21-15)18-13-25-11-10-23(18)12-16-4-6-17(7-5-16)20(24)22-8-2-3-9-22/h4-7,14,18H,2-3,8-13H2,1H3
InChIKeyYFSFERKWCJIPHI-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.26
Rot. Bonds4

About [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 126786163) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID126786163
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(C2COCCN2Cc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C20H25N3O2S/c1-15-14-26-19(21-15)18-13-25-11-10-23(18)12-16-4-6-17(7-5-16)20(24)22-8-2-3-9-22/h4-7,14,18H,2-3,8-13H2,1H3
InChIKeyYFSFERKWCJIPHI-UHFFFAOYSA-N
XLogP3.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 126786163) is [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is Cc1csc(C2COCCN2Cc2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YFSFERKWCJIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-14-26-19(21-15)18-13-25-11-10-23(18)12-16-4-6-17(7-5-16)20(24)22-8-2-3-9-22/h4-7,14,18H,2-3,8-13H2,1H3.
What are the key properties of [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 126786163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).