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

C22H25F2N5S — CID 175659503

IUPACN-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCCN(Cc3cccc(F)c3F)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H25F2N5S/c1-14-11-25-22(30-14)28-20-10-18(26-15(2)27-20)9-16-5-4-8-29(12-16)13-17-6-3-7-19(23)21(17)24/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3,(H,25,26,27,28)
InChIKeyMRULAAGYAORQCZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.03
Rot. Bonds6

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

N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 175659503) has the molecular formula C22H25F2N5S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID175659503
Molecular FormulaC22H25F2N5S
Molecular Weight429.54 g/mol
Exact Mass429.18
IUPAC NameN-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCCN(Cc3cccc(F)c3F)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C22H25F2N5S/c1-14-11-25-22(30-14)28-20-10-18(26-15(2)27-20)9-16-5-4-8-29(12-16)13-17-6-3-7-19(23)21(17)24/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3,(H,25,26,27,28)
InChIKeyMRULAAGYAORQCZ-UHFFFAOYSA-N
XLogP5.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
[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
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
N-[6-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 132778206
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[6-[[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]methyl]pyrazin-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 175658564
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158
5-methyl-N-[6-(piperidin-4-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 155906903
2-[3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
CID 155985356
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843277

Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 175659503) is N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1nc(CC2CCCN(Cc3cccc(F)c3F)C2)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is MRULAAGYAORQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5S/c1-14-11-25-22(30-14)28-20-10-18(26-15(2)27-20)9-16-5-4-8-29(12-16)13-17-6-3-7-19(23)21(17)24/h3,6-7,10-11,16H,4-5,8-9,12-13H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 429.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175659503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).