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

C11H8ClN5S — CID 122192418

IUPACN-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-n3cccn3)cs2)nc1
InChIInChI=1S/C11H8ClN5S/c12-8-2-3-9(13-6-8)15-11-16-10(7-18-11)17-5-1-4-14-17/h1-7H,(H,13,15,16)
InChIKeyLENUBLNTFACNHJ-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.12
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine (PubChem CID 122192418) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine
PubChem CID122192418
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-n3cccn3)cs2)nc1
InChIInChI=1S/C11H8ClN5S/c12-8-2-3-9(13-6-8)15-11-16-10(7-18-11)17-5-1-4-14-17/h1-7H,(H,13,15,16)
InChIKeyLENUBLNTFACNHJ-UHFFFAOYSA-N
XLogP3.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine (CID 122192418) is N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-n3cccn3)cs2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine?
The InChIKey is LENUBLNTFACNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-8-2-3-9(13-6-8)15-11-16-10(7-18-11)17-5-1-4-14-17/h1-7H,(H,13,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine has a molecular weight of 277.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122192418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).