N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine

C7H9N5S — CID 103933856

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc(CNc2nncs2)[nH]1
InChIInChI=1S/C7H9N5S/c1-5-8-2-6(11-5)3-9-7-12-10-4-13-7/h2,4H,3H2,1H3,(H,8,11)(H,9,12)
InChIKeyVYSHSAUWBYSNKS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.18
Rot. Bonds3

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933856) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933856
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ncc(CNc2nncs2)[nH]1
InChIInChI=1S/C7H9N5S/c1-5-8-2-6(11-5)3-9-7-12-10-4-13-7/h2,4H,3H2,1H3,(H,8,11)(H,9,12)
InChIKeyVYSHSAUWBYSNKS-UHFFFAOYSA-N
XLogP1.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103933856) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1ncc(CNc2nncs2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VYSHSAUWBYSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5-8-2-6(11-5)3-9-7-12-10-4-13-7/h2,4H,3H2,1H3,(H,8,11)(H,9,12).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).