(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C14H15N3OS — CID 51933448

IUPAC(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCc3ccccc32)s1
InChIInChI=1S/C14H15N3OS/c1-9-16-17-14(19-9)15-13(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3,(H,15,17,18)/t12-/m1/s1
InChIKeyIIBNBJNFKBXONS-GFCCVEGCSA-N
MW273.36 g/mol
LogP2.91
Rot. Bonds2

About (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 51933448) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID51933448
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCc3ccccc32)s1
InChIInChI=1S/C14H15N3OS/c1-9-16-17-14(19-9)15-13(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3,(H,15,17,18)/t12-/m1/s1
InChIKeyIIBNBJNFKBXONS-GFCCVEGCSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79497359
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 138054103
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 51933448) is (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1nnc(NC(=O)[C@@H]2CCCc3ccccc32)s1.
What is the InChIKey of (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is IIBNBJNFKBXONS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-16-17-14(19-9)15-13(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8H2,1H3,(H,15,17,18)/t12-/m1/s1.
What are the key properties of (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 51933448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).