3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol

C13H18N2OS — CID 106171144

IUPAC3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2sccc12
InChIInChI=1S/C13H18N2OS/c1-3-13(2,6-8-16)15-12-10-5-9-17-11(10)4-7-14-12/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyGXHLLTPQPSIZCU-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.26
Rot. Bonds5

About 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol

3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol (PubChem CID 106171144) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
PubChem CID106171144
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
SMILESCCC(C)(CCO)Nc1nccc2sccc12
InChIInChI=1S/C13H18N2OS/c1-3-13(2,6-8-16)15-12-10-5-9-17-11(10)4-7-14-12/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyGXHLLTPQPSIZCU-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
CID 103844406
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
CID 113412332
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503
2,3-dimethyl-2-N-thieno[3,2-c]pyridin-4-ylbutane-1,2-diamine
CID 113284061
2-phenyl-2-N-thieno[3,2-c]pyridin-4-ylpropane-1,2-diamine
CID 105060736
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol (CID 106171144) is 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol is CCC(C)(CCO)Nc1nccc2sccc12.
What is the InChIKey of 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol?
The InChIKey is GXHLLTPQPSIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-13(2,6-8-16)15-12-10-5-9-17-11(10)4-7-14-12/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol?
3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol has a molecular weight of 250.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol is sourced from PubChem (CID 106171144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).