N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C8H13N3S2 — CID 115777421

IUPACN-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCSCC2)n1
InChIInChI=1S/C8H13N3S2/c1-3-12-4-2-7(1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyLCFIHKVTVATWLM-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.09
Rot. Bonds3

About N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 115777421) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID115777421
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCSCC2)n1
InChIInChI=1S/C8H13N3S2/c1-3-12-4-2-7(1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyLCFIHKVTVATWLM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273706
N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273816
5-(2-Piperidin-3-ylethylsulfanyl)-1,2,4-thiadiazole
CID 80429382
5-(Piperidin-4-ylmethylsulfanyl)-1,2,4-thiadiazole
CID 80429425
N-(thiolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 80586546
N-(thian-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 80612005
5-N-(thian-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 80612388
N-[(2-methylthiolan-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 80725214
N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103865934
N-(6-methylsulfanylhexyl)-1,2,4-thiadiazol-5-amine
CID 104450533
N-(5-methylsulfanylpentyl)-1,2,4-thiadiazol-5-amine
CID 104925571
5-(2-Piperidin-4-ylethylsulfanyl)-1,2,4-thiadiazole
CID 105061391

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 115777421) is N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCSCC2)n1.
What is the InChIKey of N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LCFIHKVTVATWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-3-12-4-2-7(1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11).
What are the key properties of N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115777421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).