3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C14H14N2S2 — CID 659019

IUPAC3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(SCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H14N2S2/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12/h3-8H,9H2,1-2H3
InChIKeyAXKUQSSQUNVUGK-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.30
Rot. Bonds3

About 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 659019) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID659019
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(SCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H14N2S2/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12/h3-8H,9H2,1-2H3
InChIKeyAXKUQSSQUNVUGK-UHFFFAOYSA-N
XLogP4.30
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 659019) is 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1ccc(SCc2cn3c(C)csc3n2)cc1.
What is the InChIKey of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is AXKUQSSQUNVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 274.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 659019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).