N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

C20H25N5S — CID 46987680

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCN(Cc1cnn(C)c1)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H25N5S/c1-23(12-16-11-22-24(2)13-16)18-6-8-25(9-7-18)19-5-3-4-17(10-19)20-14-26-15-21-20/h3-5,10-11,13-15,18H,6-9,12H2,1-2H3
InChIKeyCMRVPFZWKPJTMG-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.64
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (PubChem CID 46987680) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
PubChem CID46987680
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCN(Cc1cnn(C)c1)C1CCN(c2cccc(-c3cscn3)c2)CC1
InChIInChI=1S/C20H25N5S/c1-23(12-16-11-22-24(2)13-16)18-6-8-25(9-7-18)19-5-3-4-17(10-19)20-14-26-15-21-20/h3-5,10-11,13-15,18H,6-9,12H2,1-2H3
InChIKeyCMRVPFZWKPJTMG-UHFFFAOYSA-N
XLogP3.64
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (CID 46987680) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is CN(Cc1cnn(C)c1)C1CCN(c2cccc(-c3cscn3)c2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The InChIKey is CMRVPFZWKPJTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-23(12-16-11-22-24(2)13-16)18-6-8-25(9-7-18)19-5-3-4-17(10-19)20-14-26-15-21-20/h3-5,10-11,13-15,18H,6-9,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine has a molecular weight of 367.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46987680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).