pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate

C14H20N4O3S — CID 58820179

IUPACpyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate
SMILESN[C@@H](CCCNC(=O)Oc1cccnc1)C(=O)N1CCSC1
InChIInChI=1S/C14H20N4O3S/c15-12(13(19)18-7-8-22-10-18)4-2-6-17-14(20)21-11-3-1-5-16-9-11/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,20)/t12-/m0/s1
InChIKeyVEWVZXVHZBBEDP-LBPRGKRZSA-N
MW324.41 g/mol
LogP0.81
Rot. Bonds6

About pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate

pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate (PubChem CID 58820179) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate.

Molecular Properties

Compound Namepyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate
PubChem CID58820179
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Namepyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate
SMILESN[C@@H](CCCNC(=O)Oc1cccnc1)C(=O)N1CCSC1
InChIInChI=1S/C14H20N4O3S/c15-12(13(19)18-7-8-22-10-18)4-2-6-17-14(20)21-11-3-1-5-16-9-11/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,20)/t12-/m0/s1
InChIKeyVEWVZXVHZBBEDP-LBPRGKRZSA-N
XLogP0.81
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate?
The IUPAC name of pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate (CID 58820179) is pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate.
What is the SMILES notation for pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate?
The canonical SMILES for pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate is N[C@@H](CCCNC(=O)Oc1cccnc1)C(=O)N1CCSC1.
What is the InChIKey of pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate?
The InChIKey is VEWVZXVHZBBEDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O3S/c15-12(13(19)18-7-8-22-10-18)4-2-6-17-14(20)21-11-3-1-5-16-9-11/h1,3,5,9,12H,2,4,6-8,10,15H2,(H,17,20)/t12-/m0/s1.
What are the key properties of pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate?
pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate has a molecular weight of 324.41 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl N-[(4S)-4-amino-5-oxo-5-(1,3-thiazolidin-3-yl)pentyl]carbamate is sourced from PubChem (CID 58820179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).