5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide

C14H16N4OS — CID 80618602

IUPAC5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cccc3c2CCCC3)s1
InChIInChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyIKYVRQDKBHMKMF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.71
Rot. Bonds3

About 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618602) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618602
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cccc3c2CCCC3)s1
InChIInChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyIKYVRQDKBHMKMF-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
5-(methylamino)-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619012
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696537
N-(3-iodophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615800
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107856285
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 16545685
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80618602) is 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2cccc3c2CCCC3)s1.
What is the InChIKey of 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IKYVRQDKBHMKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).