5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole

C9H7BrN2S — CID 82422643

IUPAC5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
SMILESBrCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H7BrN2S/c10-4-8-6-12-9(13-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyKIIXIUWONIJDKB-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.10
Rot. Bonds2

About 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole

5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 82422643) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID82422643
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
SMILESBrCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C9H7BrN2S/c10-4-8-6-12-9(13-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyKIIXIUWONIJDKB-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 97252891
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 119033132
N-(2-pyridin-3-yl-1,3-thiazol-5-yl)formamide
CID 174849944
5-[[(2S)-2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97160215
2-pyridin-3-yl-1,3-thiazole-5-carboximidamide
CID 82422642

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole (CID 82422643) is 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole is BrCc1cnc(-c2cccnc2)s1.
What is the InChIKey of 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KIIXIUWONIJDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-4-8-6-12-9(13-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2.
What are the key properties of 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole?
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 255.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 82422643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).