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

C16H19N3S — CID 133335140

IUPAC3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CCCC2CNc1nc(C2CC2)ns1
InChIInChI=1S/C16H19N3S/c1-2-7-14-11(4-1)5-3-6-13(14)10-17-16-18-15(19-20-16)12-8-9-12/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18,19)
InChIKeyHAIRSZYJFZACEU-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.95
Rot. Bonds4

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

3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133335140) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133335140
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CCCC2CNc1nc(C2CC2)ns1
InChIInChI=1S/C16H19N3S/c1-2-7-14-11(4-1)5-3-6-13(14)10-17-16-18-15(19-20-16)12-8-9-12/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18,19)
InChIKeyHAIRSZYJFZACEU-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133416956
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278553
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 133446398
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133443607
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
CID 133335142
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 133335140) is 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine is c1ccc2c(c1)CCCC2CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HAIRSZYJFZACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-7-14-11(4-1)5-3-6-13(14)10-17-16-18-15(19-20-16)12-8-9-12/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 285.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).