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

C14H21N3O2S — CID 91841083

IUPAC[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(CN2CCC[C@H]2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11-15-12(10-20-11)9-17-4-2-3-13(17)14(18)16-5-7-19-8-6-16/h10,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyGEKZKTCGTIHYTE-ZDUSSCGKSA-N
MW295.41 g/mol
LogP1.27
Rot. Bonds3

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

[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 91841083) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID91841083
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(CN2CCC[C@H]2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-11-15-12(10-20-11)9-17-4-2-3-13(17)14(18)16-5-7-19-8-6-16/h10,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyGEKZKTCGTIHYTE-ZDUSSCGKSA-N
XLogP1.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 91841083) is [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1nc(CN2CCC[C@H]2C(=O)N2CCOCC2)cs1.
What is the InChIKey of [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GEKZKTCGTIHYTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-15-12(10-20-11)9-17-4-2-3-13(17)14(18)16-5-7-19-8-6-16/h10,13H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 295.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91841083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).