4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole

C12H12N2S — CID 151034122

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
SMILESc1ccc2c(c1)CCCC2c1csnn1
InChIInChI=1S/C12H12N2S/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-15-14-13-12/h1-2,4,6,8,11H,3,5,7H2
InChIKeyMARVKMFEBBZIBD-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.01
Rot. Bonds1

About 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole

4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole (PubChem CID 151034122) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
PubChem CID151034122
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
SMILESc1ccc2c(c1)CCCC2c1csnn1
InChIInChI=1S/C12H12N2S/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-15-14-13-12/h1-2,4,6,8,11H,3,5,7H2
InChIKeyMARVKMFEBBZIBD-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63250667
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole (CID 151034122) is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole is c1ccc2c(c1)CCCC2c1csnn1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole?
The InChIKey is MARVKMFEBBZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-15-14-13-12/h1-2,4,6,8,11H,3,5,7H2.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole?
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole has a molecular weight of 216.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole is sourced from PubChem (CID 151034122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).