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

C13H23N3S — CID 65277046

IUPACN-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(Nc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H23N3S/c1-4-10-5-7-11(8-6-10)14-13-15-12(9(2)3)16-17-13/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZAYYHPJXRNSNDN-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.04
Rot. Bonds4

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

N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277046) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277046
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCC1CCC(Nc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H23N3S/c1-4-10-5-7-11(8-6-10)14-13-15-12(9(2)3)16-17-13/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZAYYHPJXRNSNDN-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65277046) is N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCC1CCC(Nc2nc(C(C)C)ns2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZAYYHPJXRNSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-10-5-7-11(8-6-10)14-13-15-12(9(2)3)16-17-13/h9-11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).