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

C15H26N4S — CID 65280581

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C15H26N4S/c1-11(2)9-16-10-13-5-3-4-8-19(13)15-17-14(18-20-15)12-6-7-12/h11-13,16H,3-10H2,1-2H3
InChIKeyFVNJNYAAFXQIPD-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.02
Rot. Bonds6

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

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65280581) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65280581
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C15H26N4S/c1-11(2)9-16-10-13-5-3-4-8-19(13)15-17-14(18-20-15)12-6-7-12/h11-13,16H,3-10H2,1-2H3
InChIKeyFVNJNYAAFXQIPD-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107305948
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 65280822
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
5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 80675546
3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133429079
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 65279971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 65280581) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1c1nc(C2CC2)ns1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FVNJNYAAFXQIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-11(2)9-16-10-13-5-3-4-8-19(13)15-17-14(18-20-15)12-6-7-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65280581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).