1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol

C28H22N4O2S4 — CID 24777955

IUPAC1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol
SMILESCc1nnc(SCc2cc3ccccc3c(-c3c(O)c(CSc4nnc(C)s4)cc4ccccc34)c2O)s1
InChIInChI=1S/C28H22N4O2S4/c1-15-29-31-27(37-15)35-13-19-11-17-7-3-5-9-21(17)23(25(19)33)24-22-10-6-4-8-18(22)12-20(26(24)34)14-36-28-32-30-16(2)38-28/h3-12,33-34H,13-14H2,1-2H3
InChIKeyBKHVTRIPSFSQQQ-UHFFFAOYSA-N
MW574.78 g/mol
LogP7.98
Rot. Bonds7

About 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol

1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol (PubChem CID 24777955) has the molecular formula C28H22N4O2S4 and a molecular weight of 574.78 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol
PubChem CID24777955
Molecular FormulaC28H22N4O2S4
Molecular Weight574.78 g/mol
Exact Mass574.06
IUPAC Name1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol
SMILESCc1nnc(SCc2cc3ccccc3c(-c3c(O)c(CSc4nnc(C)s4)cc4ccccc34)c2O)s1
InChIInChI=1S/C28H22N4O2S4/c1-15-29-31-27(37-15)35-13-19-11-17-7-3-5-9-21(17)23(25(19)33)24-22-10-6-4-8-18(22)12-20(26(24)34)14-36-28-32-30-16(2)38-28/h3-12,33-34H,13-14H2,1-2H3
InChIKeyBKHVTRIPSFSQQQ-UHFFFAOYSA-N
XLogP7.98
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.78
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol with MolForge

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Related Compounds

2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
2-methylsulfanyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 47095910
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210410
5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80746056
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 103886676
6-chloro-7-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one
CID 56809798
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 3381295
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668557

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol (CID 24777955) is 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol is Cc1nnc(SCc2cc3ccccc3c(-c3c(O)c(CSc4nnc(C)s4)cc4ccccc34)c2O)s1.
What is the InChIKey of 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol?
The InChIKey is BKHVTRIPSFSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2S4/c1-15-29-31-27(37-15)35-13-19-11-17-7-3-5-9-21(17)23(25(19)33)24-22-10-6-4-8-18(22)12-20(26(24)34)14-36-28-32-30-16(2)38-28/h3-12,33-34H,13-14H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol?
1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol has a molecular weight of 574.78 g/mol, XLogP of 7.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-1-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]naphthalen-2-ol is sourced from PubChem (CID 24777955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).