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

C14H16N4OS — CID 80617130

IUPAC5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyHBCAZHQQHSLDQR-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.87
Rot. Bonds3

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

5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617130) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617130
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyHBCAZHQQHSLDQR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617130) is 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC2CCc3ccccc3C2)s1.
What is the InChIKey of 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HBCAZHQQHSLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-15-14-18-17-13(20-14)12(19)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).