N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

C18H18N8S — CID 87945651

IUPACN-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cc(N2CCNCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
InChIInChI=1S/C18H18N8S/c1-2-15-17(23-14(1)12-10-21-22-11-12)27-18(24-15)25-16-9-13(3-4-20-16)26-7-5-19-6-8-26/h1-4,9-11,19H,5-8H2,(H,21,22)(H,20,24,25)
InChIKeyWLUCWFLKNPTRTI-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.63
Rot. Bonds4

About N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87945651) has the molecular formula C18H18N8S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945651
Molecular FormulaC18H18N8S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESc1cc(N2CCNCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1
InChIInChI=1S/C18H18N8S/c1-2-15-17(23-14(1)12-10-21-22-11-12)27-18(24-15)25-16-9-13(3-4-20-16)26-7-5-19-6-8-26/h1-4,9-11,19H,5-8H2,(H,21,22)(H,20,24,25)
InChIKeyWLUCWFLKNPTRTI-UHFFFAOYSA-N
XLogP2.63
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945561
N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945605
[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
CID 87945629
N-[4-(4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 134422625
5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944732
2-propan-2-yloxy-1-[4-[2-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 87944549
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
N-[4-(4-methylsulfonylazepan-1-yl)-2-pyridinyl]-5-pyridazin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 135295325
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
N-(4-piperazin-1-yl-2-pyridinyl)-1,6-naphthyridin-2-amine
CID 171795758
N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944735
N-(4-cyclopentyloxy-2-pyridinyl)-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944575

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945651) is N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is c1cc(N2CCNCC2)cc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)n1.
What is the InChIKey of N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is WLUCWFLKNPTRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8S/c1-2-15-17(23-14(1)12-10-21-22-11-12)27-18(24-15)25-16-9-13(3-4-20-16)26-7-5-19-6-8-26/h1-4,9-11,19H,5-8H2,(H,21,22)(H,20,24,25).
What are the key properties of N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 378.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-yl-2-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87945651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).