N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C19H22N6S — CID 8543234

IUPACN-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1
InChIInChI=1S/C19H22N6S/c1-15-3-5-16(6-4-15)22-19-23-17(14-26-19)13-24-9-11-25(12-10-24)18-20-7-2-8-21-18/h2-8,14H,9-13H2,1H3,(H,22,23)
InChIKeyAKLXSIQKZIJLNX-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.31
Rot. Bonds5

About N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 8543234) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID8543234
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC NameN-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1
InChIInChI=1S/C19H22N6S/c1-15-3-5-16(6-4-15)22-19-23-17(14-26-19)13-24-9-11-25(12-10-24)18-20-7-2-8-21-18/h2-8,14H,9-13H2,1H3,(H,22,23)
InChIKeyAKLXSIQKZIJLNX-UHFFFAOYSA-N
XLogP3.31
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
ethyl 4-[(2-anilino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 39894500
2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 10308727
1-[4-[[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17392489
1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
2-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159461
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146139380
(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123242

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 8543234) is N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AKLXSIQKZIJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-15-3-5-16(6-4-15)22-19-23-17(14-26-19)13-24-9-11-25(12-10-24)18-20-7-2-8-21-18/h2-8,14H,9-13H2,1H3,(H,22,23).
What are the key properties of N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 366.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 8543234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).