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

C14H20N2OS — CID 103844406

IUPAC2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nccc2sccc12
InChIInChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)9-16-13-11-6-8-18-12(11)5-7-15-13/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyWXABCUXBYZJGNX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.51
Rot. Bonds6

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

2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol (PubChem CID 103844406) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
PubChem CID103844406
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nccc2sccc12
InChIInChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)9-16-13-11-6-8-18-12(11)5-7-15-13/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyWXABCUXBYZJGNX-UHFFFAOYSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol with MolForge

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Related Compounds

3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 106171144
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
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
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
CID 115628494
[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54905473

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol (CID 103844406) is 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol is CCC(CC)(CO)CNc1nccc2sccc12.
What is the InChIKey of 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol?
The InChIKey is WXABCUXBYZJGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-14(4-2,10-17)9-16-13-11-6-8-18-12(11)5-7-15-13/h5-8,17H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol?
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 103844406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).