N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide

C16H19N5O3S — CID 71700471

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H19N5O3S/c22-15(7-10-19-16-17-8-1-9-18-16)20-13-3-5-14(6-4-13)21-11-2-12-25(21,23)24/h1,3-6,8-9H,2,7,10-12H2,(H,20,22)(H,17,18,19)
InChIKeyJRERHWIQSWIYTG-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.46
Rot. Bonds6

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 71700471) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID71700471
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESO=C(CCNc1ncccn1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C16H19N5O3S/c22-15(7-10-19-16-17-8-1-9-18-16)20-13-3-5-14(6-4-13)21-11-2-12-25(21,23)24/h1,3-6,8-9H,2,7,10-12H2,(H,20,22)(H,17,18,19)
InChIKeyJRERHWIQSWIYTG-UHFFFAOYSA-N
XLogP1.46
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699535
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N',N'-dipropylpentanediamide
CID 56552807
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 42489231
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide (CID 71700471) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide is O=C(CCNc1ncccn1)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is JRERHWIQSWIYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-15(7-10-19-16-17-8-1-9-18-16)20-13-3-5-14(6-4-13)21-11-2-12-25(21,23)24/h1,3-6,8-9H,2,7,10-12H2,(H,20,22)(H,17,18,19).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 361.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 71700471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).