5-chloro-2-pyridin-3-yl-1,3-thiazole

C8H5ClN2S — CID 117259093

IUPAC5-chloro-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnc(-c2cccnc2)s1
InChIInChI=1S/C8H5ClN2S/c9-7-5-11-8(12-7)6-2-1-3-10-4-6/h1-5H
InChIKeyVQHNXOTXVXSOIE-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 5-chloro-2-pyridin-3-yl-1,3-thiazole

5-chloro-2-pyridin-3-yl-1,3-thiazole (PubChem CID 117259093) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 5-chloro-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-pyridin-3-yl-1,3-thiazole
PubChem CID117259093
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name5-chloro-2-pyridin-3-yl-1,3-thiazole
SMILESClc1cnc(-c2cccnc2)s1
InChIInChI=1S/C8H5ClN2S/c9-7-5-11-8(12-7)6-2-1-3-10-4-6/h1-5H
InChIKeyVQHNXOTXVXSOIE-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
CID 174849944
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
5-pyridin-3-yl-1,2,4-thiadiazole
CID 12600754
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-chloro-2-pyridin-3-yl-1,3-thiazole (CID 117259093) is 5-chloro-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-pyridin-3-yl-1,3-thiazole is Clc1cnc(-c2cccnc2)s1.
What is the InChIKey of 5-chloro-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is VQHNXOTXVXSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-7-5-11-8(12-7)6-2-1-3-10-4-6/h1-5H.
What are the key properties of 5-chloro-2-pyridin-3-yl-1,3-thiazole?
5-chloro-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 196.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 117259093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).