N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C15H19N5O4S — CID 122149972

IUPACN-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESNC(=O)CNC(=O)Nc1cccc(NC(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C15H19N5O4S/c16-12(21)9-17-14(23)19-11-3-1-2-10(8-11)18-13(22)4-5-20-6-7-25-15(20)24/h1-3,8H,4-7,9H2,(H2,16,21)(H,18,22)(H2,17,19,23)
InChIKeyDCYBWHRHXWQXAR-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.79
Rot. Bonds7

About N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 122149972) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID122149972
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC NameN-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESNC(=O)CNC(=O)Nc1cccc(NC(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C15H19N5O4S/c16-12(21)9-17-14(23)19-11-3-1-2-10(8-11)18-13(22)4-5-20-6-7-25-15(20)24/h1-3,8H,4-7,9H2,(H2,16,21)(H,18,22)(H2,17,19,23)
InChIKeyDCYBWHRHXWQXAR-UHFFFAOYSA-N
XLogP0.79
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 122149972) is N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is NC(=O)CNC(=O)Nc1cccc(NC(=O)CCN2CCSC2=O)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is DCYBWHRHXWQXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c16-12(21)9-17-14(23)19-11-3-1-2-10(8-11)18-13(22)4-5-20-6-7-25-15(20)24/h1-3,8H,4-7,9H2,(H2,16,21)(H,18,22)(H2,17,19,23).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 365.42 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)carbamoylamino]phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 122149972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).