5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

C7H9N5OS — CID 106412711

IUPAC5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CNc2cc(N)ns2)no1
InChIInChI=1S/C7H9N5OS/c1-4-10-6(11-13-4)3-9-7-2-5(8)12-14-7/h2,9H,3H2,1H3,(H2,8,12)
InChIKeyFBMPPNGFRXMTJT-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.03
Rot. Bonds3

About 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 106412711) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID106412711
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CNc2cc(N)ns2)no1
InChIInChI=1S/C7H9N5OS/c1-4-10-6(11-13-4)3-9-7-2-5(8)12-14-7/h2,9H,3H2,1H3,(H2,8,12)
InChIKeyFBMPPNGFRXMTJT-UHFFFAOYSA-N
XLogP1.03
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 106412711) is 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1nc(CNc2cc(N)ns2)no1.
What is the InChIKey of 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is FBMPPNGFRXMTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-4-10-6(11-13-4)3-9-7-2-5(8)12-14-7/h2,9H,3H2,1H3,(H2,8,12).
What are the key properties of 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 211.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).