6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile

C15H16N4O2S — CID 91796778

IUPAC6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2COCC[C@@H]2OCc2cscn2)nc1
InChIInChI=1S/C15H16N4O2S/c16-5-11-1-2-15(17-6-11)19-13-8-20-4-3-14(13)21-7-12-9-22-10-18-12/h1-2,6,9-10,13-14H,3-4,7-8H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyURVYKILZJQHFNB-KGLIPLIRSA-N
MW316.39 g/mol
LogP2.20
Rot. Bonds5

About 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile

6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 91796778) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile
PubChem CID91796778
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2COCC[C@@H]2OCc2cscn2)nc1
InChIInChI=1S/C15H16N4O2S/c16-5-11-1-2-15(17-6-11)19-13-8-20-4-3-14(13)21-7-12-9-22-10-18-12/h1-2,6,9-10,13-14H,3-4,7-8H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyURVYKILZJQHFNB-KGLIPLIRSA-N
XLogP2.20
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile (CID 91796778) is 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@@H]2COCC[C@@H]2OCc2cscn2)nc1.
What is the InChIKey of 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is URVYKILZJQHFNB-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-5-11-1-2-15(17-6-11)19-13-8-20-4-3-14(13)21-7-12-9-22-10-18-12/h1-2,6,9-10,13-14H,3-4,7-8H2,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile?
6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 316.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 91796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).