(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine

C5H7N7S — CID 130934463

IUPAC(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1nn[nH]n1
InChIInChI=1S/C5H7N7S/c1-2-4(13-12-7-2)3(6)5-8-10-11-9-5/h3H,6H2,1H3,(H,8,9,10,11)
InChIKeyRXLFRECRMDHGIM-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.59
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine

(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine (PubChem CID 130934463) has the molecular formula C5H7N7S and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine
PubChem CID130934463
Molecular FormulaC5H7N7S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1nn[nH]n1
InChIInChI=1S/C5H7N7S/c1-2-4(13-12-7-2)3(6)5-8-10-11-9-5/h3H,6H2,1H3,(H,8,9,10,11)
InChIKeyRXLFRECRMDHGIM-UHFFFAOYSA-N
XLogP-0.59
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine (CID 130934463) is (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine is Cc1nnsc1C(N)c1nn[nH]n1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine?
The InChIKey is RXLFRECRMDHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7S/c1-2-4(13-12-7-2)3(6)5-8-10-11-9-5/h3H,6H2,1H3,(H,8,9,10,11).
What are the key properties of (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine?
(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine has a molecular weight of 197.23 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 130934463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).