N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine

C14H23N3S — CID 65400997

IUPACN-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CCC(c2nsc(NC3CC3)n2)CC1
InChIInChI=1S/C14H23N3S/c1-2-3-10-4-6-11(7-5-10)13-16-14(18-17-13)15-12-8-9-12/h10-12H,2-9H2,1H3,(H,15,16,17)
InChIKeyZRDCILCRDAMXOU-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.19
Rot. Bonds5

About N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65400997) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65400997
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CCC(c2nsc(NC3CC3)n2)CC1
InChIInChI=1S/C14H23N3S/c1-2-3-10-4-6-11(7-5-10)13-16-14(18-17-13)15-12-8-9-12/h10-12H,2-9H2,1H3,(H,15,16,17)
InChIKeyZRDCILCRDAMXOU-UHFFFAOYSA-N
XLogP4.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
CID 65400393
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
4-methyl-N-(4-propylcyclohexyl)-1,3-thiazol-2-amine
CID 63540876
N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
CID 112681783
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-tert-butyl-N-[4-[(dimethylamino)methyl]cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133495070
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334094
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271851

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65400997) is N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine is CCCC1CCC(c2nsc(NC3CC3)n2)CC1.
What is the InChIKey of N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZRDCILCRDAMXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-3-10-4-6-11(7-5-10)13-16-14(18-17-13)15-12-8-9-12/h10-12H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65400997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).