2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol

C13H13BrN2OS2 — CID 161391568

IUPAC2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol
SMILESBrc1nccs1.OC1(C#Cc2nccs2)CCCC1
InChIInChI=1S/C10H11NOS.C3H2BrNS/c12-10(4-1-2-5-10)6-3-9-11-7-8-13-9;4-3-5-1-2-6-3/h7-8,12H,1-2,4-5H2;1-2H
InChIKeyVTBBMVCDXXKEPU-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.71
Rot. Bonds

About 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol

2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol (PubChem CID 161391568) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol
PubChem CID161391568
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC Name2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol
SMILESBrc1nccs1.OC1(C#Cc2nccs2)CCCC1
InChIInChI=1S/C10H11NOS.C3H2BrNS/c12-10(4-1-2-5-10)6-3-9-11-7-8-13-9;4-3-5-1-2-6-3/h7-8,12H,1-2,4-5H2;1-2H
InChIKeyVTBBMVCDXXKEPU-UHFFFAOYSA-N
XLogP3.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841
1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
CID 141392805
2-(1,3-thiazol-2-yl)ethynethiol
CID 147703090
1-[(1,3-thiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934531
1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide
CID 110223656
2-(5-bromo-1,3-thiazol-2-yl)ethynyl-trimethylsilane;trimethyl-[2-(1,3-thiazol-2-yl)ethynyl]silane
CID 161350387
1,3-thiazole-2-carbonitrile;hydrochloride
CID 162215282
1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
CID 125478076
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 10398004
2-[2-(5-chloro-3-pyridinyl)ethynyl]-1,3-thiazole
CID 23500886

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol?
The IUPAC name of 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol (CID 161391568) is 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol?
The canonical SMILES for 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol is Brc1nccs1.OC1(C#Cc2nccs2)CCCC1.
What is the InChIKey of 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol?
The InChIKey is VTBBMVCDXXKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.C3H2BrNS/c12-10(4-1-2-5-10)6-3-9-11-7-8-13-9;4-3-5-1-2-6-3/h7-8,12H,1-2,4-5H2;1-2H.
What are the key properties of 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol?
2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol has a molecular weight of 357.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-thiazole;1-[2-(1,3-thiazol-2-yl)ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 161391568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).