5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine

C13H16N4S — CID 164641502

IUPAC5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESC[C@H](NC1Cc2ccccc2C1)c1nnc(N)s1
InChIInChI=1S/C13H16N4S/c1-8(12-16-17-13(14)18-12)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,15H,6-7H2,1H3,(H2,14,17)/t8-/m0/s1
InChIKeyCBCKTFPQSDKBQP-QMMMGPOBSA-N
MW260.37 g/mol
LogP1.94
Rot. Bonds3

About 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine

5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 164641502) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID164641502
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESC[C@H](NC1Cc2ccccc2C1)c1nnc(N)s1
InChIInChI=1S/C13H16N4S/c1-8(12-16-17-13(14)18-12)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,15H,6-7H2,1H3,(H2,14,17)/t8-/m0/s1
InChIKeyCBCKTFPQSDKBQP-QMMMGPOBSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine (CID 164641502) is 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine is C[C@H](NC1Cc2ccccc2C1)c1nnc(N)s1.
What is the InChIKey of 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CBCKTFPQSDKBQP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8(12-16-17-13(14)18-12)15-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,15H,6-7H2,1H3,(H2,14,17)/t8-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine?
5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 164641502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).