2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride

C19H22ClN5S — CID 118741739

IUPAC2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1.Cl
InChIInChI=1S/C19H21N5S.ClH/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15;/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3;1H
InChIKeyMNVOZIIYLJMXBN-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.10
Rot. Bonds4

About 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride

2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride (PubChem CID 118741739) has the molecular formula C19H22ClN5S and a molecular weight of 387.94 g/mol. Its IUPAC name is 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride
PubChem CID118741739
Molecular FormulaC19H22ClN5S
Molecular Weight387.94 g/mol
Exact Mass387.13
IUPAC Name2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride
SMILESCc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1.Cl
InChIInChI=1S/C19H21N5S.ClH/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15;/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3;1H
InChIKeyMNVOZIIYLJMXBN-UHFFFAOYSA-N
XLogP4.10
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridine
CID 45482707
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355931
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-6-(4-methylpiperazin-1-yl)-N4-(5-methylthiazol-2-yl)pyrimidine-2,4-diamine
CID 25104740
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzothiazole
CID 60165418
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
1-[6-(4-Methylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 10294111
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15978893

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride (CID 118741739) is 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride is Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccncc3)CC2)n1.Cl.
What is the InChIKey of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride?
The InChIKey is MNVOZIIYLJMXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S.ClH/c1-14-12-17(19-21-8-11-25-19)23-18(22-14)16-4-9-24(10-5-16)13-15-2-6-20-7-3-15;/h2-3,6-8,11-12,16H,4-5,9-10,13H2,1H3;1H.
What are the key properties of 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride?
2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride has a molecular weight of 387.94 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 118741739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).