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

C10H16ClN3S — CID 61439337

IUPAC4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESCC1CCC(N(C)c2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-7-3-5-8(6-4-7)14(2)10-9(11)12-15-13-10/h7-8H,3-6H2,1-2H3
InChIKeyMFSRSRKXFDRCAF-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.21
Rot. Bonds2

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

4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine (PubChem CID 61439337) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
PubChem CID61439337
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESCC1CCC(N(C)c2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-7-3-5-8(6-4-7)14(2)10-9(11)12-15-13-10/h7-8H,3-6H2,1-2H3
InChIKeyMFSRSRKXFDRCAF-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine (CID 61439337) is 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine is CC1CCC(N(C)c2nsnc2Cl)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is MFSRSRKXFDRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-3-5-8(6-4-7)14(2)10-9(11)12-15-13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 245.78 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 61439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).