5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine

C13H18N4S — CID 82485718

IUPAC5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(CCN)s2)c(C)c1
InChIInChI=1S/C13H18N4S/c1-8-6-9(2)12(10(3)7-8)15-13-17-16-11(18-13)4-5-14/h6-7H,4-5,14H2,1-3H3,(H,15,17)
InChIKeySVWQDOURZCAXCP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.71
Rot. Bonds4

About 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine

5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82485718) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID82485718
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(CCN)s2)c(C)c1
InChIInChI=1S/C13H18N4S/c1-8-6-9(2)12(10(3)7-8)15-13-17-16-11(18-13)4-5-14/h6-7H,4-5,14H2,1-3H3,(H,15,17)
InChIKeySVWQDOURZCAXCP-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459531
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 82176467
5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
CID 82477350
2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
CID 82176491
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
2-[[5-(2-chloro-4,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 27063016
4-amino-N-[5-[3-(2,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182914
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine (CID 82485718) is 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cc(C)c(Nc2nnc(CCN)s2)c(C)c1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SVWQDOURZCAXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-6-9(2)12(10(3)7-8)15-13-17-16-11(18-13)4-5-14/h6-7H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82485718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).