2-(5-chloropent-2-ynyl)-1,3-thiazole

C8H8ClNS — CID 79823957

IUPAC2-(5-chloropent-2-ynyl)-1,3-thiazole
SMILESClCCC#CCc1nccs1
InChIInChI=1S/C8H8ClNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,3-5H2
InChIKeyGWKNUKKNBINKPC-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.32
Rot. Bonds2

About 2-(5-chloropent-2-ynyl)-1,3-thiazole

2-(5-chloropent-2-ynyl)-1,3-thiazole (PubChem CID 79823957) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-(5-chloropent-2-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-chloropent-2-ynyl)-1,3-thiazole
PubChem CID79823957
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name2-(5-chloropent-2-ynyl)-1,3-thiazole
SMILESClCCC#CCc1nccs1
InChIInChI=1S/C8H8ClNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,3-5H2
InChIKeyGWKNUKKNBINKPC-UHFFFAOYSA-N
XLogP2.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylhex-2-ynyl)-1,3-thiazole
CID 59464359
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
4-(1,3-thiazol-2-yl)but-2-ynoic acid
CID 79824854
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
2-but-3-ynyl-1,3-thiazole
CID 87801574
4-chloro-N-(1,3-thiazol-2-ylmethyl)butan-2-amine
CID 83186501
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-(azetidin-3-yloxymethyl)-1,3-thiazole
CID 67154481
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 114757524
potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide
CID 79818711
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropent-2-ynyl)-1,3-thiazole?
The IUPAC name of 2-(5-chloropent-2-ynyl)-1,3-thiazole (CID 79823957) is 2-(5-chloropent-2-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-chloropent-2-ynyl)-1,3-thiazole?
The canonical SMILES for 2-(5-chloropent-2-ynyl)-1,3-thiazole is ClCCC#CCc1nccs1.
What is the InChIKey of 2-(5-chloropent-2-ynyl)-1,3-thiazole?
The InChIKey is GWKNUKKNBINKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS/c9-5-3-1-2-4-8-10-6-7-11-8/h6-7H,3-5H2.
What are the key properties of 2-(5-chloropent-2-ynyl)-1,3-thiazole?
2-(5-chloropent-2-ynyl)-1,3-thiazole has a molecular weight of 185.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropent-2-ynyl)-1,3-thiazole is sourced from PubChem (CID 79823957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).