2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C19H22BrN7OS — CID 59600478

IUPAC2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccc(Br)cc3)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H22BrN7OS/c1-13-22-17(24-18(23-13)27-8-6-26(7-9-27)10-11-28)25-19-21-12-16(29-19)14-2-4-15(20)5-3-14/h2-5,12,28H,6-11H2,1H3,(H,21,22,23,24,25)
InChIKeyQAUBRIUOZXZKIH-UHFFFAOYSA-N
MW476.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600478) has the molecular formula C19H22BrN7OS and a molecular weight of 476.40 g/mol. Its IUPAC name is 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600478
Molecular FormulaC19H22BrN7OS
Molecular Weight476.40 g/mol
Exact Mass475.08
IUPAC Name2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccc(Br)cc3)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H22BrN7OS/c1-13-22-17(24-18(23-13)27-8-6-26(7-9-27)10-11-28)25-19-21-12-16(29-19)14-2-4-15(20)5-3-14/h2-5,12,28H,6-11H2,1H3,(H,21,22,23,24,25)
InChIKeyQAUBRIUOZXZKIH-UHFFFAOYSA-N
XLogP2.92
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600478) is 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ncc(-c3ccc(Br)cc3)s2)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is QAUBRIUOZXZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN7OS/c1-13-22-17(24-18(23-13)27-8-6-26(7-9-27)10-11-28)25-19-21-12-16(29-19)14-2-4-15(20)5-3-14/h2-5,12,28H,6-11H2,1H3,(H,21,22,23,24,25).
What are the key properties of 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 476.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).