2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol

C14H20N2OS — CID 115359066

IUPAC2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
SMILESCC(NCC(C)(C)CO)c1cnc2ccsc2c1
InChIInChI=1S/C14H20N2OS/c1-10(16-8-14(2,3)9-17)11-6-13-12(15-7-11)4-5-18-13/h4-7,10,16-17H,8-9H2,1-3H3
InChIKeyZLEYFQLSPAYWSE-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.97
Rot. Bonds5

About 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol

2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol (PubChem CID 115359066) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
PubChem CID115359066
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
SMILESCC(NCC(C)(C)CO)c1cnc2ccsc2c1
InChIInChI=1S/C14H20N2OS/c1-10(16-8-14(2,3)9-17)11-6-13-12(15-7-11)4-5-18-13/h4-7,10,16-17H,8-9H2,1-3H3
InChIKeyZLEYFQLSPAYWSE-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-2-yl]methanesulfonamide
CID 64831171
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N-tert-butyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propanamide
CID 115889391
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 103789089
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
CID 103786961
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol (CID 115359066) is 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol is CC(NCC(C)(C)CO)c1cnc2ccsc2c1.
What is the InChIKey of 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
The InChIKey is ZLEYFQLSPAYWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(16-8-14(2,3)9-17)11-6-13-12(15-7-11)4-5-18-13/h4-7,10,16-17H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol?
2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol is sourced from PubChem (CID 115359066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).