2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C14H16N6S — CID 5329329

IUPAC2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCNCC3)ccn2)s1
InChIInChI=1S/C14H16N6S/c15-8-12-9-18-14(21-12)19-13-7-11(1-2-17-13)10-20-5-3-16-4-6-20/h1-2,7,9,16H,3-6,10H2,(H,17,18,19)
InChIKeyLJXLOEHKZRKIIO-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.56
Rot. Bonds4

About 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 5329329) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID5329329
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCNCC3)ccn2)s1
InChIInChI=1S/C14H16N6S/c15-8-12-9-18-14(21-12)19-13-7-11(1-2-17-13)10-20-5-3-16-4-6-20/h1-2,7,9,16H,3-6,10H2,(H,17,18,19)
InChIKeyLJXLOEHKZRKIIO-UHFFFAOYSA-N
XLogP1.56
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-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 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 5329329) is 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2cc(CN3CCNCC3)ccn2)s1.
What is the InChIKey of 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is LJXLOEHKZRKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-8-12-9-18-14(21-12)19-13-7-11(1-2-17-13)10-20-5-3-16-4-6-20/h1-2,7,9,16H,3-6,10H2,(H,17,18,19).
What are the key properties of 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 5329329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).