3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol

C13H18N4OS — CID 167281368

IUPAC3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol
SMILESCNc1cnc2ccsc2c1N1CCC(O)C(N)C1
InChIInChI=1S/C13H18N4OS/c1-15-10-6-16-9-3-5-19-13(9)12(10)17-4-2-11(18)8(14)7-17/h3,5-6,8,11,15,18H,2,4,7,14H2,1H3
InChIKeySBILNYYUAWFMHP-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol

3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol (PubChem CID 167281368) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol.

Molecular Properties

Compound Name3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol
PubChem CID167281368
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol
SMILESCNc1cnc2ccsc2c1N1CCC(O)C(N)C1
InChIInChI=1S/C13H18N4OS/c1-15-10-6-16-9-3-5-19-13(9)12(10)17-4-2-11(18)8(14)7-17/h3,5-6,8,11,15,18H,2,4,7,14H2,1H3
InChIKeySBILNYYUAWFMHP-UHFFFAOYSA-N
XLogP1.24
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-(6-aminothieno[3,2-b]pyridin-7-yl)piperidin-3-yl]carbamic acid
CID 90279325
5-amino-N-[7-[(3S)-3-aminopiperidin-1-yl]thieno[3,2-b]pyridin-6-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726665
[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 36835902
N-(7-chlorothieno[3,2-b]pyridin-6-yl)hydroxylamine
CID 144620136
4-(3-aminopiperidin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 146428872
2-[4-[(3R,4R)-3-amino-4-hydroxypiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-(1,3-thiazol-2-yl)-2-pyridinyl]ethanone
CID 160562966
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 126946921
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol?
The IUPAC name of 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol (CID 167281368) is 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol.
What is the SMILES notation for 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol?
The canonical SMILES for 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol is CNc1cnc2ccsc2c1N1CCC(O)C(N)C1.
What is the InChIKey of 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol?
The InChIKey is SBILNYYUAWFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-15-10-6-16-9-3-5-19-13(9)12(10)17-4-2-11(18)8(14)7-17/h3,5-6,8,11,15,18H,2,4,7,14H2,1H3.
What are the key properties of 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol?
3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol has a molecular weight of 278.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[6-(methylamino)thieno[3,2-b]pyridin-7-yl]piperidin-4-ol is sourced from PubChem (CID 167281368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).