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

C12H13N3S — CID 97074426

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C12H13N3S/c1-8-13-12(16-15-8)14-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H,13,14,15)/t11-/m0/s1
InChIKeyDPAFQOCLSULAPZ-NSHDSACASA-N
MW231.32 g/mol
LogP2.95
Rot. Bonds2

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

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 97074426) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID97074426
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N[C@H]2CCc3ccccc32)n1
InChIInChI=1S/C12H13N3S/c1-8-13-12(16-15-8)14-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H,13,14,15)/t11-/m0/s1
InChIKeyDPAFQOCLSULAPZ-NSHDSACASA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 97074426) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N[C@H]2CCc3ccccc32)n1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DPAFQOCLSULAPZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-13-12(16-15-8)14-11-7-6-9-4-2-3-5-10(9)11/h2-5,11H,6-7H2,1H3,(H,13,14,15)/t11-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97074426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).