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

C12H21N3S2 — CID 113251656

IUPACN-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSC1CCCCC1Nc1nc(C(C)C)ns1
InChIInChI=1S/C12H21N3S2/c1-8(2)11-14-12(17-15-11)13-9-6-4-5-7-10(9)16-3/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyCCSKNQWTCXXEEI-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.75
Rot. Bonds4

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

N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 113251656) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID113251656
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSC1CCCCC1Nc1nc(C(C)C)ns1
InChIInChI=1S/C12H21N3S2/c1-8(2)11-14-12(17-15-11)13-9-6-4-5-7-10(9)16-3/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyCCSKNQWTCXXEEI-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
CID 133430381
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
N-(2,2-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79870367
N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273943
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65471658
3-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 79362491
3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275883
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161060
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161059
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 113251656) is N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CSC1CCCCC1Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is CCSKNQWTCXXEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-8(2)11-14-12(17-15-11)13-9-6-4-5-7-10(9)16-3/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 113251656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).