1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine

C8H13ClN4S — CID 61295551

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C8H13ClN4S/c9-8-7(11-12-14-8)5-13-3-1-2-6(10)4-13/h6H,1-5,10H2
InChIKeyFRYAXSSFHXEBQO-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.11
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine

1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 61295551) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
PubChem CID61295551
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C8H13ClN4S/c9-8-7(11-12-14-8)5-13-3-1-2-6(10)4-13/h6H,1-5,10H2
InChIKeyFRYAXSSFHXEBQO-UHFFFAOYSA-N
XLogP1.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356472
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63089872
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
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
CID 63610707
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 115824241
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
3-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046878
5-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]thiadiazole
CID 55037270
5-chloro-4-[(4-methoxypiperidin-1-yl)methyl]thiadiazole
CID 43409300
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine (CID 61295551) is 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine is NC1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is FRYAXSSFHXEBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c9-8-7(11-12-14-8)5-13-3-1-2-6(10)4-13/h6H,1-5,10H2.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine?
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 232.74 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 61295551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).