N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

Name: N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₉N₅S — CID 42167249

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1

InChIInChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23)

InChIKeyHNELGWKNEIHXPR-UHFFFAOYSA-N

MW361.47 g/mol

LogP4.37

Rot. Bonds6

About N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 42167249) has the molecular formula C₂₀H₁₉N₅S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name	N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID	42167249
Molecular Formula	C₂₀H₁₉N₅S
Molecular Weight	361.47 g/mol
Exact Mass	361.14
IUPAC Name	N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILES	Cc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1
InChI	InChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23)
InChIKey	HNELGWKNEIHXPR-UHFFFAOYSA-N
XLogP	4.37
TPSA	55.63 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The IUPAC name of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 42167249) is N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The canonical SMILES for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1.

What is the InChIKey of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

The InChIKey is HNELGWKNEIHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23).

What are the key properties of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?

N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 361.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42167249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 42167249 — identifiers, structure, computed properties (public domain)

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