4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine

C11H18ClN3S — CID 63548042

IUPAC4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCCC1CCC(N(C)c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-3-8-4-6-9(7-5-8)15(2)11-10(12)13-16-14-11/h8-9H,3-7H2,1-2H3
InChIKeyIGKXPSIANDSUCQ-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 63548042) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID63548042
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCCC1CCC(N(C)c2nsnc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-3-8-4-6-9(7-5-8)15(2)11-10(12)13-16-14-11/h8-9H,3-7H2,1-2H3
InChIKeyIGKXPSIANDSUCQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 63548042) is 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine is CCC1CCC(N(C)c2nsnc2Cl)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is IGKXPSIANDSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-3-8-4-6-9(7-5-8)15(2)11-10(12)13-16-14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 259.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 63548042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).