6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile

C12H10N4S — CID 54958880

IUPAC6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2nc(C3CC3)cs2)nc1
InChIInChI=1S/C12H10N4S/c13-5-8-1-4-11(14-6-8)16-12-15-10(7-17-12)9-2-3-9/h1,4,6-7,9H,2-3H2,(H,14,15,16)
InChIKeyITZYMJVMOJQIGG-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.03
Rot. Bonds3

About 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile

6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 54958880) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
PubChem CID54958880
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2nc(C3CC3)cs2)nc1
InChIInChI=1S/C12H10N4S/c13-5-8-1-4-11(14-6-8)16-12-15-10(7-17-12)9-2-3-9/h1,4,6-7,9H,2-3H2,(H,14,15,16)
InChIKeyITZYMJVMOJQIGG-UHFFFAOYSA-N
XLogP3.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile (CID 54958880) is 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile is N#Cc1ccc(Nc2nc(C3CC3)cs2)nc1.
What is the InChIKey of 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is ITZYMJVMOJQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-5-8-1-4-11(14-6-8)16-12-15-10(7-17-12)9-2-3-9/h1,4,6-7,9H,2-3H2,(H,14,15,16).
What are the key properties of 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile?
6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 242.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 54958880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).