N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine

C12H21N3S2 — CID 114123761

IUPACN-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCCCC2SC)n1
InChIInChI=1S/C12H21N3S2/c1-3-6-11-14-12(17-15-11)13-9-7-4-5-8-10(9)16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFGQWOAXQZIHTHT-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.58
Rot. Bonds5

About N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine

N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 114123761) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID114123761
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCCCC2SC)n1
InChIInChI=1S/C12H21N3S2/c1-3-6-11-14-12(17-15-11)13-9-7-4-5-8-10(9)16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFGQWOAXQZIHTHT-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 113251656
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271851
N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274405
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273754
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 106996290
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 115309534
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 114123761) is N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCCCC2SC)n1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FGQWOAXQZIHTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-3-6-11-14-12(17-15-11)13-9-7-4-5-8-10(9)16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114123761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).