2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole

C7H6N2S2 — CID 642343

IUPAC2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole
SMILESc1csc(Cc2nccs2)n1
InChIInChI=1S/C7H6N2S2/c1-3-10-6(8-1)5-7-9-2-4-11-7/h1-4H,5H2
InChIKeyQMGVWSJNPMFIJO-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.19
Rot. Bonds2

About 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole

2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole (PubChem CID 642343) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole
PubChem CID642343
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole
SMILESc1csc(Cc2nccs2)n1
InChIInChI=1S/C7H6N2S2/c1-3-10-6(8-1)5-7-9-2-4-11-7/h1-4H,5H2
InChIKeyQMGVWSJNPMFIJO-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylthiazole
CID 85053
2-Propylthiazole
CID 87198
2-Thiazolylethylamine
CID 87653
2-(Tert-butyl)thiazole
CID 580980
Thiazole, 2,2'-dithiobis-
CID 357976
2-(1,3-Thiazol-2-yl)acetonitrile
CID 4913352
2-Isopropylthiazole
CID 85054
2-(1,3-Thiazol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 44120524
2-(Pyrrolidin-3-yl)-1,3-thiazole
CID 55219437
Thiazole, 2,2'-thiobis-
CID 608243
2-(3-Pyrrolidin-1-ylprop-1-ynyl)-1,3-thiazole
CID 10313490
NoName_3303
CID 819109

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole (CID 642343) is 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole is c1csc(Cc2nccs2)n1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole?
The InChIKey is QMGVWSJNPMFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-3-10-6(8-1)5-7-9-2-4-11-7/h1-4H,5H2.
What are the key properties of 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole?
2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole has a molecular weight of 182.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 642343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).