naphthalen-1-yl 4-methylthiadiazole-5-carboxylate

C14H10N2O2S — CID 50939750

IUPACnaphthalen-1-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyYSRIUKFKYSWEGQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.22
Rot. Bonds2

About naphthalen-1-yl 4-methylthiadiazole-5-carboxylate

naphthalen-1-yl 4-methylthiadiazole-5-carboxylate (PubChem CID 50939750) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is naphthalen-1-yl 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 4-methylthiadiazole-5-carboxylate
PubChem CID50939750
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Namenaphthalen-1-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKeyYSRIUKFKYSWEGQ-UHFFFAOYSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015242
3-Methylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015218
2-Methylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015220
3,4-Dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015224
2,3-Dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015244
4-(Propan-2-yl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015246
3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 1487331
Ethyl 4-[(2-methylphenoxy)methyl]thiadiazole-5-carboxylate
CID 12056735
4-Pentylsulfanyl-5-prop-2-enyl-3-(thiadiazol-4-yl)chromen-2-one
CID 88836180
Naphthalen-2-yl 4-methylthiadiazole-5-carboxylate
CID 141234625
2-(4-Methylphenoxy)ethyl 4-methylthiadiazole-5-carboxylate
CID 141868431
(3-Phenoxyphenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 141868434

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 4-methylthiadiazole-5-carboxylate?
The IUPAC name of naphthalen-1-yl 4-methylthiadiazole-5-carboxylate (CID 50939750) is naphthalen-1-yl 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for naphthalen-1-yl 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for naphthalen-1-yl 4-methylthiadiazole-5-carboxylate is Cc1nnsc1C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 4-methylthiadiazole-5-carboxylate?
The InChIKey is YSRIUKFKYSWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-9-13(19-16-15-9)14(17)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3.
What are the key properties of naphthalen-1-yl 4-methylthiadiazole-5-carboxylate?
naphthalen-1-yl 4-methylthiadiazole-5-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 50939750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).