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

C15H11BrN4S2 — CID 1186937

IUPACN-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN4S2/c1-9-13(20-6-7-21-15(20)17-9)12-8-22-14(19-12)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyQCZIQVQGYSDYHN-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.33
Rot. Bonds3

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

N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 1186937) has the molecular formula C15H11BrN4S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID1186937
Molecular FormulaC15H11BrN4S2
Molecular Weight391.32 g/mol
Exact Mass389.96
IUPAC NameN-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCc1nc2sccn2c1-c1csc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C15H11BrN4S2/c1-9-13(20-6-7-21-15(20)17-9)12-8-22-14(19-12)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyQCZIQVQGYSDYHN-UHFFFAOYSA-N
XLogP5.33
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine (CID 1186937) is N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is Cc1nc2sccn2c1-c1csc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is QCZIQVQGYSDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4S2/c1-9-13(20-6-7-21-15(20)17-9)12-8-22-14(19-12)18-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine?
N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 391.32 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1186937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).