5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C13H16N4OS — CID 103364915

IUPAC5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC1OCCC1Nc1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H16N4OS/c1-8-10(4-6-18-8)16-13-11(12(14)17-19-13)9-3-2-5-15-7-9/h2-3,5,7-8,10,16H,4,6H2,1H3,(H2,14,17)
InChIKeyQKNHNCJTNRGKEP-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.38
Rot. Bonds3

About 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103364915) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103364915
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC1OCCC1Nc1snc(N)c1-c1cccnc1
InChIInChI=1S/C13H16N4OS/c1-8-10(4-6-18-8)16-13-11(12(14)17-19-13)9-3-2-5-15-7-9/h2-3,5,7-8,10,16H,4,6H2,1H3,(H2,14,17)
InChIKeyQKNHNCJTNRGKEP-UHFFFAOYSA-N
XLogP2.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103383818
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
4-pyridin-3-yl-5-N-(2,2,3,3-tetramethylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103364408
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-N-[(4-methylmorpholin-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359116
5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359235
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382541
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103364915) is 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CC1OCCC1Nc1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is QKNHNCJTNRGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-10(4-6-18-8)16-13-11(12(14)17-19-13)9-3-2-5-15-7-9/h2-3,5,7-8,10,16H,4,6H2,1H3,(H2,14,17).
What are the key properties of 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 276.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).