N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H19N5O3S — CID 133471767

IUPACN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCc2cccc(N3CCCS3(=O)=O)c2)n1
InChIInChI=1S/C18H19N5O3S/c1-13-21-18(26-22-13)16-7-3-8-19-17(16)20-12-14-5-2-6-15(11-14)23-9-4-10-27(23,24)25/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,20)
InChIKeyAGBBSOHTYACMDP-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.59
Rot. Bonds5

About N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133471767) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133471767
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCc2cccc(N3CCCS3(=O)=O)c2)n1
InChIInChI=1S/C18H19N5O3S/c1-13-21-18(26-22-13)16-7-3-8-19-17(16)20-12-14-5-2-6-15(11-14)23-9-4-10-27(23,24)25/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,20)
InChIKeyAGBBSOHTYACMDP-UHFFFAOYSA-N
XLogP2.59
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
CID 133472021
4-fluoro-N-[3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenyl]benzamide
CID 133319742
N,N-dimethyl-4-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]benzenesulfonamide
CID 133317483
4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
CID 71924550
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318404
5-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-nitropyridin-2-amine
CID 133471773
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133472023
7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
CID 133471893

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of 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) is N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2cccnc2NCc2cccc(N3CCCS3(=O)=O)c2)n1.
What is the InChIKey of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is AGBBSOHTYACMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13-21-18(26-22-13)16-7-3-8-19-17(16)20-12-14-5-2-6-15(11-14)23-9-4-10-27(23,24)25/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 385.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).