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

C10H16ClN3S — CID 61443626

IUPAC4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCCCC1)c1nsnc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(10-9(11)12-15-13-10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyPPYKFUBPDSGLDA-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.21
Rot. Bonds3

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

4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 61443626) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID61443626
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCCCC1)c1nsnc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(10-9(11)12-15-13-10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyPPYKFUBPDSGLDA-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 61443626) is 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is CN(CC1CCCCC1)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is PPYKFUBPDSGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-14(10-9(11)12-15-13-10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 245.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 61443626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).