3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine

C21H23N9S — CID 177246083

IUPAC3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2cc(Nc3ncccn3)sn2)CC1
InChIInChI=1S/C21H23N9S/c1-15-18(4-3-17(26-15)20-22-7-8-23-20)30-11-9-29(10-12-30)14-16-13-19(31-28-16)27-21-24-5-2-6-25-21/h2-8,13H,9-12,14H2,1H3,(H,22,23)(H,24,25,27)
InChIKeyWJQRUXFOPRJEPQ-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.09
Rot. Bonds6

About 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine

3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine (PubChem CID 177246083) has the molecular formula C21H23N9S and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine
PubChem CID177246083
Molecular FormulaC21H23N9S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine
SMILESCc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2cc(Nc3ncccn3)sn2)CC1
InChIInChI=1S/C21H23N9S/c1-15-18(4-3-17(26-15)20-22-7-8-23-20)30-11-9-29(10-12-30)14-16-13-19(31-28-16)27-21-24-5-2-6-25-21/h2-8,13H,9-12,14H2,1H3,(H,22,23)(H,24,25,27)
InChIKeyWJQRUXFOPRJEPQ-UHFFFAOYSA-N
XLogP3.09
TPSA98.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine with MolForge

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Related Compounds

3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 177246177
1-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazine
CID 170981447
3-ethyl-7-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-4-sulfanylidene-1H-quinazolin-2-one
CID 170981563
4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen
CID 177246202
N-(6-methyl-3-pyridin-2-ylimidazo[1,2-a]pyrazin-8-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 59503625
N-(6-methylimidazo[1,2-a]pyrazin-8-yl)-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 143756595
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
2-[(3S)-3-ethyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-(1H-imidazol-2-yl)-3-methylpyrazine
CID 11997338
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 8543234

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine?
The IUPAC name of 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine (CID 177246083) is 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine?
The canonical SMILES for 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine is Cc1nc(-c2ncc[nH]2)ccc1N1CCN(Cc2cc(Nc3ncccn3)sn2)CC1.
What is the InChIKey of 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine?
The InChIKey is WJQRUXFOPRJEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9S/c1-15-18(4-3-17(26-15)20-22-7-8-23-20)30-11-9-29(10-12-30)14-16-13-19(31-28-16)27-21-24-5-2-6-25-21/h2-8,13H,9-12,14H2,1H3,(H,22,23)(H,24,25,27).
What are the key properties of 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine?
3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine has a molecular weight of 433.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-pyrimidin-2-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 177246083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).