[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol

C12H16N2O3S — CID 2732783

IUPAC[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol
SMILESCOc1ccccc1NC1=NC(CO)(CO)CS1
InChIInChI=1S/C12H16N2O3S/c1-17-10-5-3-2-4-9(10)13-11-14-12(6-15,7-16)8-18-11/h2-5,15-16H,6-8H2,1H3,(H,13,14)
InChIKeyLJXDMLVQYVYWEX-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.93
Rot. Bonds4

About [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol

[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol (PubChem CID 2732783) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol
PubChem CID2732783
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol
SMILESCOc1ccccc1NC1=NC(CO)(CO)CS1
InChIInChI=1S/C12H16N2O3S/c1-17-10-5-3-2-4-9(10)13-11-14-12(6-15,7-16)8-18-11/h2-5,15-16H,6-8H2,1H3,(H,13,14)
InChIKeyLJXDMLVQYVYWEX-UHFFFAOYSA-N
XLogP0.93
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol (CID 2732783) is [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol is COc1ccccc1NC1=NC(CO)(CO)CS1.
What is the InChIKey of [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol?
The InChIKey is LJXDMLVQYVYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-10-5-3-2-4-9(10)13-11-14-12(6-15,7-16)8-18-11/h2-5,15-16H,6-8H2,1H3,(H,13,14).
What are the key properties of [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol?
[4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol has a molecular weight of 268.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-(2-methoxyanilino)-5H-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 2732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).