N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C8H15N3S2 — CID 65267581

IUPACN-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(NCC(C)C)n1
InChIInChI=1S/C8H15N3S2/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyRIKAYNTUDGHUSB-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.47
Rot. Bonds5

About N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267581) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267581
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(NCC(C)C)n1
InChIInChI=1S/C8H15N3S2/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyRIKAYNTUDGHUSB-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459
3-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894460
3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894462
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894467
3-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 104952706
N-(5-methylsulfanylpentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105912649
3-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106430765
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304965
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304966

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65267581) is N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CSCc1nsc(NCC(C)C)n1.
What is the InChIKey of N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RIKAYNTUDGHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-6(2)4-9-8-10-7(5-12-3)11-13-8/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).