1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C19H26N4OS — CID 129279734

IUPAC1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1nnc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C19H26N4OS/c1-14-21-22-19(25-14)24-12-11-23-9-7-16(8-10-23)20-18-13-17(18)15-5-3-2-4-6-15/h2-6,16-18,20H,7-13H2,1H3/t17-,18+/m0/s1
InChIKeyUPKFZFLCVPXIMH-ZWKOTPCHSA-N
MW358.51 g/mol
LogP2.84
Rot. Bonds7

About 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 129279734) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID129279734
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1nnc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C19H26N4OS/c1-14-21-22-19(25-14)24-12-11-23-9-7-16(8-10-23)20-18-13-17(18)15-5-3-2-4-6-15/h2-6,16-18,20H,7-13H2,1H3/t17-,18+/m0/s1
InChIKeyUPKFZFLCVPXIMH-ZWKOTPCHSA-N
XLogP2.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129280571
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279690
1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279729
6-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]-3H-1,3-benzoxazol-2-one
CID 129280538
3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one
CID 129279660
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one
CID 129279672
N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
1-[1-(4-bromophenoxy)butan-2-yl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 175179470
[3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(1,3-thiazol-4-ylmethyl)azetidin-3-yl] acetate
CID 146444517

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 129279734) is 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is Cc1nnc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)s1.
What is the InChIKey of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is UPKFZFLCVPXIMH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-21-22-19(25-14)24-12-11-23-9-7-16(8-10-23)20-18-13-17(18)15-5-3-2-4-6-15/h2-6,16-18,20H,7-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 358.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 129279734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).