N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine

C13H20ClN3S — CID 47053953

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N(Cc2nnsc2Cl)C2CC2)CC1
InChIInChI=1S/C13H20ClN3S/c1-9-2-4-10(5-3-9)17(11-6-7-11)8-12-13(14)18-16-15-12/h9-11H,2-8H2,1H3
InChIKeyAURFQDVKPIJDIY-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.73
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine (PubChem CID 47053953) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
PubChem CID47053953
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
SMILESCC1CCC(N(Cc2nnsc2Cl)C2CC2)CC1
InChIInChI=1S/C13H20ClN3S/c1-9-2-4-10(5-3-9)17(11-6-7-11)8-12-13(14)18-16-15-12/h9-11H,2-8H2,1H3
InChIKeyAURFQDVKPIJDIY-UHFFFAOYSA-N
XLogP3.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 43408478
5-Chloro-4-[(3-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408479
5-Chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566
5-Chloro-4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408585
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
CID 43408586
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-chlorothiadiazole
CID 43408894
N-[(5-chlorothiadiazol-4-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 43423070
5-Chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43431270
N-[(5-chlorothiadiazol-4-yl)methyl]-N,3-dimethylbutan-2-amine
CID 43431271

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine (CID 47053953) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine is CC1CCC(N(Cc2nnsc2Cl)C2CC2)CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine?
The InChIKey is AURFQDVKPIJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-9-2-4-10(5-3-9)17(11-6-7-11)8-12-13(14)18-16-15-12/h9-11H,2-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine has a molecular weight of 285.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 47053953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).