N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C14H24N4S — CID 65270651

IUPACN'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1nc(C2CC2)ns1)C1CCCCC1
InChIInChI=1S/C14H24N4S/c15-9-4-10-18(12-5-2-1-3-6-12)14-16-13(17-19-14)11-7-8-11/h11-12H,1-10,15H2
InChIKeyGRAYNMOWUSPFMD-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.90
Rot. Bonds6

About N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270651) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270651
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1nc(C2CC2)ns1)C1CCCCC1
InChIInChI=1S/C14H24N4S/c15-9-4-10-18(12-5-2-1-3-6-12)14-16-13(17-19-14)11-7-8-11/h11-12H,1-10,15H2
InChIKeyGRAYNMOWUSPFMD-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
N-cyclopentyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65272088
3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65472416
N'-cyclohexyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304465
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 107305462
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 65274370
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine dihydrochloride
CID 67344281
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine hydrochloride
CID 89542870
Ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 123668036
N-(1-ethylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267513

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270651) is N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is NCCCN(c1nc(C2CC2)ns1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is GRAYNMOWUSPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c15-9-4-10-18(12-5-2-1-3-6-12)14-16-13(17-19-14)11-7-8-11/h11-12H,1-10,15H2.
What are the key properties of N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).