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

C20H20N8S — CID 15979518

IUPACN-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESc1cc(N2CCNCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1
InChIInChI=1S/C20H20N8S/c1-2-23-19(8-17(1)28-5-3-21-4-6-28)27-20-24-13-18(29-20)15-7-14(9-22-10-15)16-11-25-26-12-16/h1-2,7-13,21H,3-6H2,(H,25,26)(H,23,24,27)
InChIKeyBQLMSQOLZAQQCV-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.14
Rot. Bonds5

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

N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 15979518) has the molecular formula C20H20N8S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID15979518
Molecular FormulaC20H20N8S
Molecular Weight404.50 g/mol
Exact Mass404.15
IUPAC NameN-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESc1cc(N2CCNCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1
InChIInChI=1S/C20H20N8S/c1-2-23-19(8-17(1)28-5-3-21-4-6-28)27-20-24-13-18(29-20)15-7-14(9-22-10-15)16-11-25-26-12-16/h1-2,7-13,21H,3-6H2,(H,25,26)(H,23,24,27)
InChIKeyBQLMSQOLZAQQCV-UHFFFAOYSA-N
XLogP3.14
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15979015
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-6-piperazin-1-yl pyridin-2-amine
CID 15979138
N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979395
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
5-{2-[(4-Piperazin-1-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}nicotinonitrile
CID 15979631
N-(4-morpholin-4-yl-2-pyridinyl)-5-[5-(triazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979747
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-4-piperazin-1-ylpyridin-2-amine
CID 16091079
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(3-methyl-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53387887

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine (CID 15979518) is N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine is c1cc(N2CCNCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1.
What is the InChIKey of N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is BQLMSQOLZAQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8S/c1-2-23-19(8-17(1)28-5-3-21-4-6-28)27-20-24-13-18(29-20)15-7-14(9-22-10-15)16-11-25-26-12-16/h1-2,7-13,21H,3-6H2,(H,25,26)(H,23,24,27).
What are the key properties of N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine?
N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 404.50 g/mol, XLogP of 3.14, 5 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-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15979518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).