N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine

C9H14N6S — CID 107648497

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncc(CNc2nncs2)n1C
InChIInChI=1S/C9H14N6S/c1-14(2)9-11-5-7(15(9)3)4-10-8-13-12-6-16-8/h5-6H,4H2,1-3H3,(H,10,13)
InChIKeyJBWVEUPSHIHCFI-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.95
Rot. Bonds4

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648497) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648497
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ncc(CNc2nncs2)n1C
InChIInChI=1S/C9H14N6S/c1-14(2)9-11-5-7(15(9)3)4-10-8-13-12-6-16-8/h5-6H,4H2,1-3H3,(H,10,13)
InChIKeyJBWVEUPSHIHCFI-UHFFFAOYSA-N
XLogP0.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 107648497) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine is CN(C)c1ncc(CNc2nncs2)n1C.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JBWVEUPSHIHCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-14(2)9-11-5-7(15(9)3)4-10-8-13-12-6-16-8/h5-6H,4H2,1-3H3,(H,10,13).
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).