4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole

C9H8ClN3S — CID 83155643

IUPAC4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole
SMILESClc1csc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C9H8ClN3S/c10-8-5-14-9(11-8)13-4-3-7(12-13)6-1-2-6/h3-6H,1-2H2
InChIKeyKFXIILRXOXFPIY-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole

4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole (PubChem CID 83155643) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole
PubChem CID83155643
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole
SMILESClc1csc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C9H8ClN3S/c10-8-5-14-9(11-8)13-4-3-7(12-13)6-1-2-6/h3-6H,1-2H2
InChIKeyKFXIILRXOXFPIY-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole (CID 83155643) is 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole is Clc1csc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is KFXIILRXOXFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-8-5-14-9(11-8)13-4-3-7(12-13)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole?
4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 225.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-cyclopropylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 83155643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).