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

C14H26N4S — CID 65280336

IUPACN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C14H26N4S/c1-10(2)13-16-14(19-17-13)18-8-6-5-7-12(18)9-15-11(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyRCDVKCYBMXCARC-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.02
Rot. Bonds5

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

N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 65280336) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID65280336
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C14H26N4S/c1-10(2)13-16-14(19-17-13)18-8-6-5-7-12(18)9-15-11(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyRCDVKCYBMXCARC-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 80675546
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133428857
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 65280147
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55218834
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]propan-2-amine
CID 107305954
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107305948

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine (CID 65280336) is N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1c1nc(C(C)C)ns1.
What is the InChIKey of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is RCDVKCYBMXCARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-10(2)13-16-14(19-17-13)18-8-6-5-7-12(18)9-15-11(3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65280336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).