N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C17H14BrN5S — CID 44602944

IUPACN-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ncccn2c1-c1csc(N(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H14BrN5S/c1-11-15(23-9-3-8-19-16(23)20-11)14-10-24-17(21-14)22(2)13-6-4-12(18)5-7-13/h3-10H,1-2H3
InChIKeyKRINJOYYYDIFQL-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.69
Rot. Bonds3

About N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 44602944) has the molecular formula C17H14BrN5S and a molecular weight of 400.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID44602944
Molecular FormulaC17H14BrN5S
Molecular Weight400.31 g/mol
Exact Mass399.02
IUPAC NameN-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ncccn2c1-c1csc(N(C)c2ccc(Br)cc2)n1
InChIInChI=1S/C17H14BrN5S/c1-11-15(23-9-3-8-19-16(23)20-11)14-10-24-17(21-14)22(2)13-6-4-12(18)5-7-13/h3-10H,1-2H3
InChIKeyKRINJOYYYDIFQL-UHFFFAOYSA-N
XLogP4.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 44602944) is N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ncccn2c1-c1csc(N(C)c2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KRINJOYYYDIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5S/c1-11-15(23-9-3-8-19-16(23)20-11)14-10-24-17(21-14)22(2)13-6-4-12(18)5-7-13/h3-10H,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 400.31 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44602944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).