1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine

C21H27N5S — CID 30854411

IUPAC1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(N[C@H](C)Cn4cccn4)CC3)c2)cs1
InChIInChI=1S/C21H27N5S/c1-16(14-26-10-4-9-22-26)23-19-7-11-25(12-8-19)20-6-3-5-18(13-20)21-15-27-17(2)24-21/h3-6,9-10,13,15-16,19,23H,7-8,11-12,14H2,1-2H3/t16-/m1/s1
InChIKeyOIOIVQJQLXDRGN-MRXNPFEDSA-N
MW381.55 g/mol
LogP3.96
Rot. Bonds6

About 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine (PubChem CID 30854411) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
PubChem CID30854411
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(N[C@H](C)Cn4cccn4)CC3)c2)cs1
InChIInChI=1S/C21H27N5S/c1-16(14-26-10-4-9-22-26)23-19-7-11-25(12-8-19)20-6-3-5-18(13-20)21-15-27-17(2)24-21/h3-6,9-10,13,15-16,19,23H,7-8,11-12,14H2,1-2H3/t16-/m1/s1
InChIKeyOIOIVQJQLXDRGN-MRXNPFEDSA-N
XLogP3.96
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
CID 31125725
N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
CID 46993017
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 30957466
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
N,N,4,5-tetramethyl-6-[(3R)-3-(1-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112323
1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
CID 45248000
1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 51495526
N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 64500643
3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine (CID 30854411) is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine is Cc1nc(-c2cccc(N3CCC(N[C@H](C)Cn4cccn4)CC3)c2)cs1.
What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine?
The InChIKey is OIOIVQJQLXDRGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5S/c1-16(14-26-10-4-9-22-26)23-19-7-11-25(12-8-19)20-6-3-5-18(13-20)21-15-27-17(2)24-21/h3-6,9-10,13,15-16,19,23H,7-8,11-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine?
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine has a molecular weight of 381.55 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine is sourced from PubChem (CID 30854411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).