6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

C13H11ClN2S2 — CID 658793

IUPAC6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3ccc(Cl)cc3)cn12
InChIInChI=1S/C13H11ClN2S2/c1-9-7-18-13-15-11(6-16(9)13)8-17-12-4-2-10(14)3-5-12/h2-7H,8H2,1H3
InChIKeyCTVPMMWYTLEMAW-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.65
Rot. Bonds3

About 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 658793) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID658793
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3ccc(Cl)cc3)cn12
InChIInChI=1S/C13H11ClN2S2/c1-9-7-18-13-15-11(6-16(9)13)8-17-12-4-2-10(14)3-5-12/h2-7H,8H2,1H3
InChIKeyCTVPMMWYTLEMAW-UHFFFAOYSA-N
XLogP4.65
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (CID 658793) is 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is Cc1csc2nc(CSc3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is CTVPMMWYTLEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c1-9-7-18-13-15-11(6-16(9)13)8-17-12-4-2-10(14)3-5-12/h2-7H,8H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 294.83 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 658793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).