N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine

C13H19N5O2S — CID 167913436

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(NCCCN2CCCS2(=O)=O)nc2cnccc21
InChIInChI=1S/C13H19N5O2S/c1-17-12-4-6-14-10-11(12)16-13(17)15-5-2-7-18-8-3-9-21(18,19)20/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyRWZHUNNXBGGVAV-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.81
Rot. Bonds5

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine (PubChem CID 167913436) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine
PubChem CID167913436
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(NCCCN2CCCS2(=O)=O)nc2cnccc21
InChIInChI=1S/C13H19N5O2S/c1-17-12-4-6-14-10-11(12)16-13(17)15-5-2-7-18-8-3-9-21(18,19)20/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyRWZHUNNXBGGVAV-UHFFFAOYSA-N
XLogP0.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine (CID 167913436) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine is Cn1c(NCCCN2CCCS2(=O)=O)nc2cnccc21.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is RWZHUNNXBGGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17-12-4-6-14-10-11(12)16-13(17)15-5-2-7-18-8-3-9-21(18,19)20/h4,6,10H,2-3,5,7-9H2,1H3,(H,15,16).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 309.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 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)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 167913436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).