4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C11H8ClN5S — CID 46700738

IUPAC4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H8ClN5S/c12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h1-6H,(H,14,17)(H,13,15,16)
InChIKeyJFMZLCPOVDWSJF-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.33
Rot. Bonds3

About 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46700738) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46700738
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C11H8ClN5S/c12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h1-6H,(H,14,17)(H,13,15,16)
InChIKeyJFMZLCPOVDWSJF-UHFFFAOYSA-N
XLogP3.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46700738) is 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Clc1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is JFMZLCPOVDWSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h1-6H,(H,14,17)(H,13,15,16).
What are the key properties of 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 277.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46700738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).