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

C13H23N3S2 — CID 65267530

IUPAC3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CSC2CCCCC2)ns1
InChIInChI=1S/C13H23N3S2/c1-10(2)8-14-13-15-12(16-18-13)9-17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyKJYODMIJTOBZPP-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.17
Rot. Bonds6

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

3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267530) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267530
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC Name3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(CSC2CCCCC2)ns1
InChIInChI=1S/C13H23N3S2/c1-10(2)8-14-13-15-12(16-18-13)9-17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyKJYODMIJTOBZPP-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894462
N-(2-methyl-3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304967
N-(6-methylsulfanylhexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114126035
1-Cyano-3-[3-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]propyl]-2-methylguanidine
CID 20537936
3-(butan-2-ylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267529
N-(2-methylpropyl)-3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267581
N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267700
N-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267936
3-(ethylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268117
3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65268238
3-(tert-butylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268336
N-cyclopropyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268375

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267530) is 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(CSC2CCCCC2)ns1.
What is the InChIKey of 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KJYODMIJTOBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-10(2)8-14-13-15-12(16-18-13)9-17-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 285.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).