5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile

C18H17N7S — CID 15979631

IUPAC5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1
InChIInChI=1S/C18H17N7S/c19-9-13-7-14(11-21-10-13)16-12-23-18(26-16)24-17-8-15(1-2-22-17)25-5-3-20-4-6-25/h1-2,7-8,10-12,20H,3-6H2,(H,22,23,24)
InChIKeySBRAJBZUTYBDLH-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.62
Rot. Bonds4

About 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile

5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 15979631) has the molecular formula C18H17N7S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
PubChem CID15979631
Molecular FormulaC18H17N7S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1
InChIInChI=1S/C18H17N7S/c19-9-13-7-14(11-21-10-13)16-12-23-18(26-16)24-17-8-15(1-2-22-17)25-5-3-20-4-6-25/h1-2,7-8,10-12,20H,3-6H2,(H,22,23,24)
InChIKeySBRAJBZUTYBDLH-UHFFFAOYSA-N
XLogP2.62
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile (CID 15979631) is 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is SBRAJBZUTYBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7S/c19-9-13-7-14(11-21-10-13)16-12-23-18(26-16)24-17-8-15(1-2-22-17)25-5-3-20-4-6-25/h1-2,7-8,10-12,20H,3-6H2,(H,22,23,24).
What are the key properties of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile?
5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 15979631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).