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

C18H21N5O3S — CID 71574094

IUPAC2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCOc1cccc(OC)c1-c1cnnc(NCc2nc(C)c(CCO)s2)n1
InChIInChI=1S/C18H21N5O3S/c1-11-15(7-8-24)27-16(21-11)10-19-18-22-12(9-20-23-18)17-13(25-2)5-4-6-14(17)26-3/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,22,23)
InChIKeyNGURRWWLDPNHBP-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.47
Rot. Bonds8

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

2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 71574094) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID71574094
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCOc1cccc(OC)c1-c1cnnc(NCc2nc(C)c(CCO)s2)n1
InChIInChI=1S/C18H21N5O3S/c1-11-15(7-8-24)27-16(21-11)10-19-18-22-12(9-20-23-18)17-13(25-2)5-4-6-14(17)26-3/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,22,23)
InChIKeyNGURRWWLDPNHBP-UHFFFAOYSA-N
XLogP2.47
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 71574094) is 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol is COc1cccc(OC)c1-c1cnnc(NCc2nc(C)c(CCO)s2)n1.
What is the InChIKey of 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is NGURRWWLDPNHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-15(7-8-24)27-16(21-11)10-19-18-22-12(9-20-23-18)17-13(25-2)5-4-6-14(17)26-3/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,22,23).
What are the key properties of 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol?
2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 387.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 71574094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).