N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine

C8H13N3S2 — CID 107648654

IUPACN-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1SCCCC1Nc1nncs1
InChIInChI=1S/C8H13N3S2/c1-6-7(3-2-4-12-6)10-8-11-9-5-13-8/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyZZLBQSMSTWYNNZ-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.23
Rot. Bonds2

About N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine

N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648654) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648654
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1SCCCC1Nc1nncs1
InChIInChI=1S/C8H13N3S2/c1-6-7(3-2-4-12-6)10-8-11-9-5-13-8/h5-7H,2-4H2,1H3,(H,10,11)
InChIKeyZZLBQSMSTWYNNZ-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine (CID 107648654) is N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine is CC1SCCCC1Nc1nncs1.
What is the InChIKey of N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZZLBQSMSTWYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-6-7(3-2-4-12-6)10-8-11-9-5-13-8/h5-7H,2-4H2,1H3,(H,10,11).
What are the key properties of N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine?
N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 215.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthian-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).