N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine

C12H13N3S — CID 65276359

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CCCC2Nc1ncns1
InChIInChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)15-12-13-8-14-16-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15)
InChIKeyZXABQDQJYDHEQN-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.03
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276359) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65276359
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CCCC2Nc1ncns1
InChIInChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)15-12-13-8-14-16-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15)
InChIKeyZXABQDQJYDHEQN-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
CID 130667392
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133366101
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62316564
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 78908767
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 63547158
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine (CID 65276359) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine is c1ccc2c(c1)CCCC2Nc1ncns1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZXABQDQJYDHEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-6-10-9(4-1)5-3-7-11(10)15-12-13-8-14-16-12/h1-2,4,6,8,11H,3,5,7H2,(H,13,14,15).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).