N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine

C11H18ClN3S — CID 47013672

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7H2,1-2H3
InChIKeyZFTYUVVSQOOLHD-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.20
Rot. Bonds3

About N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 47013672) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID47013672
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2nnsc2Cl)CC1
InChIInChI=1S/C11H18ClN3S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7H2,1-2H3
InChIKeyZFTYUVVSQOOLHD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-5-chlorothiadiazole
CID 43408741
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
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
CID 47053953
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
5-Chloro-4-[(2-methylpiperidin-1-yl)methyl]thiadiazole
CID 43408643
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-chlorothiadiazole
CID 43408894

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 47013672) is N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2nnsc2Cl)CC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is ZFTYUVVSQOOLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-8-3-5-9(6-4-8)15(2)7-10-11(12)16-14-13-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 259.81 g/mol, XLogP of 3.20, 3 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,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 47013672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).