N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

C16H14N4O3S — CID 47806814

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H14N4O3S/c21-13-10-24-16(23)20(13)7-6-17-15(22)12-8-18-14(19-9-12)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,17,22)
InChIKeyDYRWIRIWZLPJGK-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 47806814) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID47806814
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H14N4O3S/c21-13-10-24-16(23)20(13)7-6-17-15(22)12-8-18-14(19-9-12)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,17,22)
InChIKeyDYRWIRIWZLPJGK-UHFFFAOYSA-N
XLogP1.57
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557110
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 108808097
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 119726337
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methylbenzamide
CID 79467461
3-(cyanomethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
CID 82179048
6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 106551164
3-benzyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496582
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55957887
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55835910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide (CID 47806814) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is O=C(NCCN1C(=O)CSC1=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is DYRWIRIWZLPJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-13-10-24-16(23)20(13)7-6-17-15(22)12-8-18-14(19-9-12)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,17,22).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47806814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).