N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C22H27N5S — CID 175659781

IUPACN-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCCN(Cc3ccccc3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H27N5S/c1-16-13-23-22(28-16)26-21-12-20(24-17(2)25-21)11-19-9-6-10-27(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,12-13,19H,6,9-11,14-15H2,1-2H3,(H,23,24,25,26)
InChIKeyKRHPXEFCIJQXRG-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.75
Rot. Bonds6

About N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 175659781) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID175659781
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC NameN-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCCN(Cc3ccccc3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H27N5S/c1-16-13-23-22(28-16)26-21-12-20(24-17(2)25-21)11-19-9-6-10-27(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,12-13,19H,6,9-11,14-15H2,1-2H3,(H,23,24,25,26)
InChIKeyKRHPXEFCIJQXRG-UHFFFAOYSA-N
XLogP4.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659503
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125004494
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
2-[(6R)-4-benzyl-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 124987201
1-[(3S)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]-4-(morpholin-4-ylmethyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 163600522
tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843277
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
3-[[4-[[4-(2-cyanoethyl)piperazin-1-yl]methyl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562928
N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 175658564

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 175659781) is N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1nc(CC2CCCN(Cc3ccccc3)C2)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is KRHPXEFCIJQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5S/c1-16-13-23-22(28-16)26-21-12-20(24-17(2)25-21)11-19-9-6-10-27(15-19)14-18-7-4-3-5-8-18/h3-5,7-8,12-13,19H,6,9-11,14-15H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 393.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175659781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).