6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol

C15H13NO2S — CID 167980409

IUPAC6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol
SMILESCc1nc(CO)c(-c2ccc3cc(O)ccc3c2)s1
InChIInChI=1S/C15H13NO2S/c1-9-16-14(8-17)15(19-9)12-3-2-11-7-13(18)5-4-10(11)6-12/h2-7,17-18H,8H2,1H3
InChIKeyLGGGKXCOIFHIDR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.47
Rot. Bonds2

About 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol

6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol (PubChem CID 167980409) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol
PubChem CID167980409
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol
SMILESCc1nc(CO)c(-c2ccc3cc(O)ccc3c2)s1
InChIInChI=1S/C15H13NO2S/c1-9-16-14(8-17)15(19-9)12-3-2-11-7-13(18)5-4-10(11)6-12/h2-7,17-18H,8H2,1H3
InChIKeyLGGGKXCOIFHIDR-UHFFFAOYSA-N
XLogP3.47
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol?
The IUPAC name of 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol (CID 167980409) is 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol?
The canonical SMILES for 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol is Cc1nc(CO)c(-c2ccc3cc(O)ccc3c2)s1.
What is the InChIKey of 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol?
The InChIKey is LGGGKXCOIFHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-9-16-14(8-17)15(19-9)12-3-2-11-7-13(18)5-4-10(11)6-12/h2-7,17-18H,8H2,1H3.
What are the key properties of 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol?
6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol has a molecular weight of 271.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol is sourced from PubChem (CID 167980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).