N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

C12H21ClN4S — CID 63241351

IUPACN-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C12H21ClN4S/c1-9(2)14-6-10-4-3-5-17(7-10)8-11-12(13)18-16-15-11/h9-10,14H,3-8H2,1-2H3
InChIKeyFYJDISVELCUNLR-UHFFFAOYSA-N
MW288.85 g/mol
LogP2.40
Rot. Bonds5

About N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241351) has the molecular formula C12H21ClN4S and a molecular weight of 288.85 g/mol. Its IUPAC name is N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241351
Molecular FormulaC12H21ClN4S
Molecular Weight288.85 g/mol
Exact Mass288.12
IUPAC NameN-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C12H21ClN4S/c1-9(2)14-6-10-4-3-5-17(7-10)8-11-12(13)18-16-15-11/h9-10,14H,3-8H2,1-2H3
InChIKeyFYJDISVELCUNLR-UHFFFAOYSA-N
XLogP2.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 52.40
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]piperidin-3-amine
CID 61295551
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63089872
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
3-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046878
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-chlorothiadiazole
CID 112734077
N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569
5-chloro-4-[(3,4-dimethylpiperazin-1-yl)methyl]thiadiazole
CID 63610707
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 63241351) is N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is FYJDISVELCUNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4S/c1-9(2)14-6-10-4-3-5-17(7-10)8-11-12(13)18-16-15-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 288.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).