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

C12H21N3S2 — CID 55045090

IUPAC4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC1CCCCC1
InChIInChI=1S/C12H21N3S2/c1-2-8-13-12-11(14-15-17-12)9-16-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyICAWGCYXDWRPJV-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.93
Rot. Bonds6

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

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 55045090) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
PubChem CID55045090
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSC1CCCCC1
InChIInChI=1S/C12H21N3S2/c1-2-8-13-12-11(14-15-17-12)9-16-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyICAWGCYXDWRPJV-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(ethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187844

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine (CID 55045090) is 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine is CCCNc1snnc1CSC1CCCCC1.
What is the InChIKey of 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is ICAWGCYXDWRPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-2-8-13-12-11(14-15-17-12)9-16-10-6-4-3-5-7-10/h10,13H,2-9H2,1H3.
What are the key properties of 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine?
4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 271.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55045090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).