(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide

C13H21N3O2S — CID 125448023

IUPAC(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)NCc1cscn1)N1CCOCC1
InChIInChI=1S/C13H21N3O2S/c1-11(16-4-6-18-7-5-16)2-3-13(17)14-8-12-9-19-10-15-12/h9-11H,2-8H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyYBXUCJZFPACOFV-NSHDSACASA-N
MW283.40 g/mol
LogP1.26
Rot. Bonds6

About (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide

(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide (PubChem CID 125448023) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide
PubChem CID125448023
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide
SMILESC[C@@H](CCC(=O)NCc1cscn1)N1CCOCC1
InChIInChI=1S/C13H21N3O2S/c1-11(16-4-6-18-7-5-16)2-3-13(17)14-8-12-9-19-10-15-12/h9-11H,2-8H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyYBXUCJZFPACOFV-NSHDSACASA-N
XLogP1.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The IUPAC name of (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide (CID 125448023) is (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide.
What is the SMILES notation for (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The canonical SMILES for (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide is C[C@@H](CCC(=O)NCc1cscn1)N1CCOCC1.
What is the InChIKey of (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
The InChIKey is YBXUCJZFPACOFV-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11(16-4-6-18-7-5-16)2-3-13(17)14-8-12-9-19-10-15-12/h9-11H,2-8H2,1H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide?
(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide has a molecular weight of 283.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 125448023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).