5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

C15H10BrN3S2 — CID 5215881

IUPAC5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C15H10BrN3S2/c1-9-13(19-6-7-20-15(19)17-9)14-18-12(8-21-14)10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyBHTWSSVTHGSILZ-UHFFFAOYSA-N
MW376.30 g/mol
LogP5.26
Rot. Bonds2

About 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 5215881) has the molecular formula C15H10BrN3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID5215881
Molecular FormulaC15H10BrN3S2
Molecular Weight376.30 g/mol
Exact Mass374.95
IUPAC Name5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1-c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C15H10BrN3S2/c1-9-13(19-6-7-20-15(19)17-9)14-18-12(8-21-14)10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyBHTWSSVTHGSILZ-UHFFFAOYSA-N
XLogP5.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.30
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 5215881) is 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1-c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is BHTWSSVTHGSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3S2/c1-9-13(19-6-7-20-15(19)17-9)14-18-12(8-21-14)10-4-2-3-5-11(10)16/h2-8H,1H3.
What are the key properties of 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 376.30 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 5215881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).