4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine

C11H19N3S2 — CID 62188273

IUPAC4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSC1CCCCC1
InChIInChI=1S/C11H19N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyIVTSVKVFPFVVID-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.54
Rot. Bonds5

About 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine

4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine (PubChem CID 62188273) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine
PubChem CID62188273
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSC1CCCCC1
InChIInChI=1S/C11H19N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyIVTSVKVFPFVVID-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
CID 55046524
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55140732
N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176296
N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176297
N-ethyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62183442
4-[[methyl(thiolan-3-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183443
N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
CID 62187539
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187540
N-methyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187559
N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187560
4-(propan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187732

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine (CID 62188273) is 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine is CCNc1snnc1CSC1CCCCC1.
What is the InChIKey of 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The InChIKey is IVTSVKVFPFVVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h9,12H,2-8H2,1H3.
What are the key properties of 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine has a molecular weight of 257.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfanylmethyl)-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62188273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).