2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole

C7H6ClN3S — CID 2764394

IUPAC2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(Cn2cccn2)s1
InChIInChI=1S/C7H6ClN3S/c8-7-9-4-6(12-7)5-11-3-1-2-10-11/h1-4H,5H2
InChIKeyZVHDRAJISDUITG-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole

2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 2764394) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole
PubChem CID2764394
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(Cn2cccn2)s1
InChIInChI=1S/C7H6ClN3S/c8-7-9-4-6(12-7)5-11-3-1-2-10-11/h1-4H,5H2
InChIKeyZVHDRAJISDUITG-UHFFFAOYSA-N
XLogP2.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole (CID 2764394) is 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole is Clc1ncc(Cn2cccn2)s1.
What is the InChIKey of 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is ZVHDRAJISDUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-7-9-4-6(12-7)5-11-3-1-2-10-11/h1-4H,5H2.
What are the key properties of 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole?
2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 199.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 2764394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).