(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol

C17H22N6O2S — CID 42189859

IUPAC(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1
InChIInChI=1S/C17H22N6O2S/c1-2-13(24)11-5-7-23(8-6-11)17-16(18-10-12-4-3-9-26-12)19-14-15(20-17)22-25-21-14/h3-4,9,11,13,24H,2,5-8,10H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyCTJJGEJPVROMIR-ZDUSSCGKSA-N
MW374.47 g/mol
LogP2.67
Rot. Bonds6

About (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol

(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol (PubChem CID 42189859) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol
PubChem CID42189859
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1
InChIInChI=1S/C17H22N6O2S/c1-2-13(24)11-5-7-23(8-6-11)17-16(18-10-12-4-3-9-26-12)19-14-15(20-17)22-25-21-14/h3-4,9,11,13,24H,2,5-8,10H2,1H3,(H,18,19,21)/t13-/m0/s1
InChIKeyCTJJGEJPVROMIR-ZDUSSCGKSA-N
XLogP2.67
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol
CID 45173518
5-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 42508633
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45206907
5-morpholin-4-yl-N-[(1S)-1-thiophen-2-ylpropyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 42306412
11-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 74455043
N-benzyl-5-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45229020
N-benzyl-5-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 26336739
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
5-N-[[(2R)-oxolan-2-yl]methyl]-5-N-(pyridin-2-ylmethyl)-6-N-(thiophen-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42530997
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol?
The IUPAC name of (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol (CID 42189859) is (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol is CC[C@H](O)C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1.
What is the InChIKey of (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol?
The InChIKey is CTJJGEJPVROMIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-2-13(24)11-5-7-23(8-6-11)17-16(18-10-12-4-3-9-26-12)19-14-15(20-17)22-25-21-14/h3-4,9,11,13,24H,2,5-8,10H2,1H3,(H,18,19,21)/t13-/m0/s1.
What are the key properties of (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol?
(1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 374.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[6-(thiophen-2-ylmethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 42189859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).