3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

C16H19N3S — CID 133416956

IUPAC3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CC(CCNc1nc(C3CC3)ns1)C2
InChIInChI=1S/C16H19N3S/c1-2-4-14-10-11(9-13(14)3-1)7-8-17-16-18-15(19-20-16)12-5-6-12/h1-4,11-12H,5-10H2,(H,17,18,19)
InChIKeyZIPCNADHMPWSCB-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.63
Rot. Bonds5

About 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133416956) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133416956
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc2c(c1)CC(CCNc1nc(C3CC3)ns1)C2
InChIInChI=1S/C16H19N3S/c1-2-4-14-10-11(9-13(14)3-1)7-8-17-16-18-15(19-20-16)12-5-6-12/h1-4,11-12H,5-10H2,(H,17,18,19)
InChIKeyZIPCNADHMPWSCB-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133416906
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 79755405
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335140
N-[2-(4-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65276986
N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277212
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133417009
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736408
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358213
N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133395328
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133443607
3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65276950

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133416956) is 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is c1ccc2c(c1)CC(CCNc1nc(C3CC3)ns1)C2.
What is the InChIKey of 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZIPCNADHMPWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-4-14-10-11(9-13(14)3-1)7-8-17-16-18-15(19-20-16)12-5-6-12/h1-4,11-12H,5-10H2,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 285.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133416956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).