N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

C14H26N4OS — CID 99108548

IUPACN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)n1
InChIInChI=1S/C14H26N4OS/c1-10-5-11(2)7-18(6-10)8-12(3)15-14-16-13(9-19-4)17-20-14/h10-12H,5-9H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m0/s1
InChIKeyBQFKPIOLNUMEOM-TUAOUCFPSA-N
MW298.46 g/mol
LogP2.46
Rot. Bonds6

About N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 99108548) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID99108548
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)n1
InChIInChI=1S/C14H26N4OS/c1-10-5-11(2)7-18(6-10)8-12(3)15-14-16-13(9-19-4)17-20-14/h10-12H,5-9H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m0/s1
InChIKeyBQFKPIOLNUMEOM-TUAOUCFPSA-N
XLogP2.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (CID 99108548) is N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)n1.
What is the InChIKey of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BQFKPIOLNUMEOM-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-10-5-11(2)7-18(6-10)8-12(3)15-14-16-13(9-19-4)17-20-14/h10-12H,5-9H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m0/s1.
What are the key properties of N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 298.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 99108548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).