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

C20H25N5S — CID 46999829

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCc1nc(CN(C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)cs1
InChIInChI=1S/C20H25N5S/c1-16-22-17(15-26-16)14-23(2)18-8-12-24(13-9-18)19-4-6-20(7-5-19)25-11-3-10-21-25/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyTUAIIQADNVVBFF-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.74
Rot. Bonds5

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (PubChem CID 46999829) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
PubChem CID46999829
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCc1nc(CN(C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)cs1
InChIInChI=1S/C20H25N5S/c1-16-22-17(15-26-16)14-23(2)18-8-12-24(13-9-18)19-4-6-20(7-5-19)25-11-3-10-21-25/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyTUAIIQADNVVBFF-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (CID 46999829) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is Cc1nc(CN(C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The InChIKey is TUAIIQADNVVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-16-22-17(15-26-16)14-23(2)18-8-12-24(13-9-18)19-4-6-20(7-5-19)25-11-3-10-21-25/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine has a molecular weight of 367.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 46999829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).