N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

C13H16ClN5S — CID 45263026

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(N(C)C2=NCCN2)s1.Cl
InChIInChI=1S/C13H15N5S.ClH/c1-9-5-3-4-6-10(9)11-16-17-13(19-11)18(2)12-14-7-8-15-12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyOTWQLDYCLGVKNR-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.33
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 45263026) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID45263026
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(N(C)C2=NCCN2)s1.Cl
InChIInChI=1S/C13H15N5S.ClH/c1-9-5-3-4-6-10(9)11-16-17-13(19-11)18(2)12-14-7-8-15-12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H
InChIKeyOTWQLDYCLGVKNR-UHFFFAOYSA-N
XLogP2.33
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 45263026) is N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cc1ccccc1-c1nnc(N(C)C2=NCCN2)s1.Cl.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is OTWQLDYCLGVKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S.ClH/c1-9-5-3-4-6-10(9)11-16-17-13(19-11)18(2)12-14-7-8-15-12;/h3-6H,7-8H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 309.83 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-N-methyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 45263026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).