N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine

C15H16N6O2S — CID 133472021

IUPACN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C15H16N6O2S/c22-24(23)6-2-5-21(24)12-4-1-3-11(7-12)8-16-14-13-15(18-9-17-13)20-10-19-14/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,17,18,19,20)
InChIKeyUHAMUGIWXMOEHY-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.50
Rot. Bonds4

About N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine

N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine (PubChem CID 133472021) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
PubChem CID133472021
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C15H16N6O2S/c22-24(23)6-2-5-21(24)12-4-1-3-11(7-12)8-16-14-13-15(18-9-17-13)20-10-19-14/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,17,18,19,20)
InChIKeyUHAMUGIWXMOEHY-UHFFFAOYSA-N
XLogP1.50
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803
N-[3-[(7H-purin-6-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 47061485
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133471957
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133472023
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
CID 133471935
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 139019354

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine (CID 133472021) is N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine is O=S1(=O)CCCN1c1cccc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine?
The InChIKey is UHAMUGIWXMOEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c22-24(23)6-2-5-21(24)12-4-1-3-11(7-12)8-16-14-13-15(18-9-17-13)20-10-19-14/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,17,18,19,20).
What are the key properties of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine?
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine has a molecular weight of 344.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 133472021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).