6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine

C13H18N4S — CID 107645961

IUPAC6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1nnc(-n2ccc3c2CC(C)(C)CC3N)s1
InChIInChI=1S/C13H18N4S/c1-8-15-16-12(18-8)17-5-4-9-10(14)6-13(2,3)7-11(9)17/h4-5,10H,6-7,14H2,1-3H3
InChIKeyHZMHIAYXLFVFON-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.61
Rot. Bonds1

About 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 107645961) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
PubChem CID107645961
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
SMILESCc1nnc(-n2ccc3c2CC(C)(C)CC3N)s1
InChIInChI=1S/C13H18N4S/c1-8-15-16-12(18-8)17-5-4-9-10(14)6-13(2,3)7-11(9)17/h4-5,10H,6-7,14H2,1-3H3
InChIKeyHZMHIAYXLFVFON-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine (CID 107645961) is 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine is Cc1nnc(-n2ccc3c2CC(C)(C)CC3N)s1.
What is the InChIKey of 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is HZMHIAYXLFVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-15-16-12(18-8)17-5-4-9-10(14)6-13(2,3)7-11(9)17/h4-5,10H,6-7,14H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 107645961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).