6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

C12H16N2S2 — CID 2998005

IUPAC6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(CSC3CCCCC3)nc2s1
InChIInChI=1S/C12H16N2S2/c1-2-4-11(5-3-1)16-9-10-8-14-6-7-15-12(14)13-10/h6-8,11H,1-5,9H2
InChIKeyWAPZOKFBGWCMLV-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.96
Rot. Bonds3

About 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 2998005) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID2998005
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(CSC3CCCCC3)nc2s1
InChIInChI=1S/C12H16N2S2/c1-2-4-11(5-3-1)16-9-10-8-14-6-7-15-12(14)13-10/h6-8,11H,1-5,9H2
InChIKeyWAPZOKFBGWCMLV-UHFFFAOYSA-N
XLogP3.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (CID 2998005) is 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is c1cn2cc(CSC3CCCCC3)nc2s1.
What is the InChIKey of 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is WAPZOKFBGWCMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-2-4-11(5-3-1)16-9-10-8-14-6-7-15-12(14)13-10/h6-8,11H,1-5,9H2.
What are the key properties of 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 252.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2998005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).