5-chloro-2-iodo-1,3-thiazole

C3HClINS — CID 154533494

IUPAC5-chloro-2-iodo-1,3-thiazole
SMILESClc1cnc(I)s1
InChIInChI=1S/C3HClINS/c4-2-1-6-3(5)7-2/h1H
InChIKeyNWWXGICORNVYSN-UHFFFAOYSA-N
MW245.47 g/mol
LogP2.40
Rot. Bonds

About 5-chloro-2-iodo-1,3-thiazole

5-chloro-2-iodo-1,3-thiazole (PubChem CID 154533494) has the molecular formula C3HClINS and a molecular weight of 245.47 g/mol. Its IUPAC name is 5-chloro-2-iodo-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-iodo-1,3-thiazole
PubChem CID154533494
Molecular FormulaC3HClINS
Molecular Weight245.47 g/mol
Exact Mass244.86
IUPAC Name5-chloro-2-iodo-1,3-thiazole
SMILESClc1cnc(I)s1
InChIInChI=1S/C3HClINS/c4-2-1-6-3(5)7-2/h1H
InChIKeyNWWXGICORNVYSN-UHFFFAOYSA-N
XLogP2.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-1,3-thiazole
CID 18519960
potassium 5-chloro-1,3-thiazole-2-carboxylate
CID 170907506
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide
CID 136917790
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 107124632
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 104879207
5-ethylsulfonyl-2-iodo-1,3-thiazole
CID 118088244
1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
CID 107124825
5-chloro-2-(4-fluorophenyl)-1,3-thiazole
CID 117259108
2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazole-5-sulfonyl chloride
CID 18542430
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-1,3-thiazole?
The IUPAC name of 5-chloro-2-iodo-1,3-thiazole (CID 154533494) is 5-chloro-2-iodo-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-iodo-1,3-thiazole?
The canonical SMILES for 5-chloro-2-iodo-1,3-thiazole is Clc1cnc(I)s1.
What is the InChIKey of 5-chloro-2-iodo-1,3-thiazole?
The InChIKey is NWWXGICORNVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClINS/c4-2-1-6-3(5)7-2/h1H.
What are the key properties of 5-chloro-2-iodo-1,3-thiazole?
5-chloro-2-iodo-1,3-thiazole has a molecular weight of 245.47 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-1,3-thiazole is sourced from PubChem (CID 154533494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).