1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine

C10H17ClN4S — CID 63089872

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyLNGRVYWYLMBVPB-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.72
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 63089872) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID63089872
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3
InChIKeyLNGRVYWYLMBVPB-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356472
N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241351
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 112734077
5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
CID 63610707
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
3-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046878
(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97217447
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 115824241
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
CID 43409300
5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine (CID 63089872) is 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LNGRVYWYLMBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-14(2)8-4-3-5-15(6-8)7-9-10(11)16-13-12-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 260.79 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 63089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).