N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

C14H18ClN5S — CID 45263051

IUPACN-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(NC2=NCC(C)(C)N2)s1.Cl
InChIInChI=1S/C14H17N5S.ClH/c1-9-6-4-5-7-10(9)11-18-19-13(20-11)16-12-15-8-14(2,3)17-12;/h4-7H,8H2,1-3H3,(H2,15,16,17,19);1H
InChIKeyILJDEYVLMHJSID-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.09
Rot. Bonds2

About N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 45263051) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID45263051
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC NameN-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(NC2=NCC(C)(C)N2)s1.Cl
InChIInChI=1S/C14H17N5S.ClH/c1-9-6-4-5-7-10(9)11-18-19-13(20-11)16-12-15-8-14(2,3)17-12;/h4-7H,8H2,1-3H3,(H2,15,16,17,19);1H
InChIKeyILJDEYVLMHJSID-UHFFFAOYSA-N
XLogP3.09
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 45263051) is N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cc1ccccc1-c1nnc(NC2=NCC(C)(C)N2)s1.Cl.
What is the InChIKey of N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is ILJDEYVLMHJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S.ClH/c1-9-6-4-5-7-10(9)11-18-19-13(20-11)16-12-15-8-14(2,3)17-12;/h4-7H,8H2,1-3H3,(H2,15,16,17,19);1H.
What are the key properties of N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 323.85 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 45263051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).