(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol

C16H17N3OS — CID 125138222

IUPAC(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol
SMILESCc1nc(CNc2ccnc3ccsc23)ccc1[C@H](C)O
InChIInChI=1S/C16H17N3OS/c1-10-13(11(2)20)4-3-12(19-10)9-18-14-5-7-17-15-6-8-21-16(14)15/h3-8,11,20H,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyAHRUADPDJGKPCT-NSHDSACASA-N
MW299.40 g/mol
LogP3.67
Rot. Bonds4

About (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol

(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol (PubChem CID 125138222) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol
PubChem CID125138222
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol
SMILESCc1nc(CNc2ccnc3ccsc23)ccc1[C@H](C)O
InChIInChI=1S/C16H17N3OS/c1-10-13(11(2)20)4-3-12(19-10)9-18-14-5-7-17-15-6-8-21-16(14)15/h3-8,11,20H,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyAHRUADPDJGKPCT-NSHDSACASA-N
XLogP3.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol (CID 125138222) is (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol is Cc1nc(CNc2ccnc3ccsc23)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol?
The InChIKey is AHRUADPDJGKPCT-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-13(11(2)20)4-3-12(19-10)9-18-14-5-7-17-15-6-8-21-16(14)15/h3-8,11,20H,9H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol?
(1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol has a molecular weight of 299.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-methyl-6-[(thieno[3,2-b]pyridin-7-ylamino)methyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 125138222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).