N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine

C7H9N5S — CID 64545657

IUPACN-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine
SMILESc1c[nH]c(CNCc2csnn2)n1
InChIInChI=1S/C7H9N5S/c1-2-10-7(9-1)4-8-3-6-5-13-12-11-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyZCPJYBZWDDKNSE-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.55
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine (PubChem CID 64545657) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine
PubChem CID64545657
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine
SMILESc1c[nH]c(CNCc2csnn2)n1
InChIInChI=1S/C7H9N5S/c1-2-10-7(9-1)4-8-3-6-5-13-12-11-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyZCPJYBZWDDKNSE-UHFFFAOYSA-N
XLogP0.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine (CID 64545657) is N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine is c1c[nH]c(CNCc2csnn2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine?
The InChIKey is ZCPJYBZWDDKNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-2-10-7(9-1)4-8-3-6-5-13-12-11-6/h1-2,5,8H,3-4H2,(H,9,10).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 64545657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).