N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C8H13N3S2 — CID 80725214

IUPACN-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC1(CNc2ncns2)CCCS1
InChIInChI=1S/C8H13N3S2/c1-8(3-2-4-12-8)5-9-7-10-6-11-13-7/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyZMTVZQXDLWWJEI-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.24
Rot. Bonds3

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

N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 80725214) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID80725214
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC1(CNc2ncns2)CCCS1
InChIInChI=1S/C8H13N3S2/c1-8(3-2-4-12-8)5-9-7-10-6-11-13-7/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyZMTVZQXDLWWJEI-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 80725214) is N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CC1(CNc2ncns2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZMTVZQXDLWWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-8(3-2-4-12-8)5-9-7-10-6-11-13-7/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80725214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).