N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C14H17N3S — CID 133387030

IUPACN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(C)(C)c3ccccc32)s1
InChIInChI=1S/C14H17N3S/c1-9-16-17-13(18-9)15-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,12H,8H2,1-3H3,(H,15,17)
InChIKeyZBOMZZGQXDRCAG-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.68
Rot. Bonds2

About N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133387030) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133387030
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC(C)(C)c3ccccc32)s1
InChIInChI=1S/C14H17N3S/c1-9-16-17-13(18-9)15-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,12H,8H2,1-3H3,(H,15,17)
InChIKeyZBOMZZGQXDRCAG-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 133387030) is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CC(C)(C)c3ccccc32)s1.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZBOMZZGQXDRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-16-17-13(18-9)15-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,12H,8H2,1-3H3,(H,15,17).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133387030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).