N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H21N3S — CID 65208956

IUPACN-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2nnsc2CNC(C)(C)C)cc1C
InChIInChI=1S/C15H21N3S/c1-10-6-7-12(8-11(10)2)14-13(19-18-17-14)9-16-15(3,4)5/h6-8,16H,9H2,1-5H3
InChIKeyNNOKSKRAGXALNZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.71
Rot. Bonds3

About N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65208956) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65208956
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2nnsc2CNC(C)(C)C)cc1C
InChIInChI=1S/C15H21N3S/c1-10-6-7-12(8-11(10)2)14-13(19-18-17-14)9-16-15(3,4)5/h6-8,16H,9H2,1-5H3
InChIKeyNNOKSKRAGXALNZ-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 65208956) is N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(-c2nnsc2CNC(C)(C)C)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NNOKSKRAGXALNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10-6-7-12(8-11(10)2)14-13(19-18-17-14)9-16-15(3,4)5/h6-8,16H,9H2,1-5H3.
What are the key properties of N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65208956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).