methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate

C18H19N3O2S — CID 97230239

IUPACmethyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-12(14-9-17-16(20-11-14)7-8-24-17)19-10-13-3-5-15(6-4-13)21-18(22)23-2/h3-9,11-12,19H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyGZBURGLAWMAMPI-LBPRGKRZSA-N
MW341.44 g/mol
LogP4.33
Rot. Bonds5

About methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate (PubChem CID 97230239) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
PubChem CID97230239
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Namemethyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C18H19N3O2S/c1-12(14-9-17-16(20-11-14)7-8-24-17)19-10-13-3-5-15(6-4-13)21-18(22)23-2/h3-9,11-12,19H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyGZBURGLAWMAMPI-LBPRGKRZSA-N
XLogP4.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64829615
N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
CID 115712639
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830727
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
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765543

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate (CID 97230239) is methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CN[C@@H](C)c2cnc3ccsc3c2)cc1.
What is the InChIKey of methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate?
The InChIKey is GZBURGLAWMAMPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(14-9-17-16(20-11-14)7-8-24-17)19-10-13-3-5-15(6-4-13)21-18(22)23-2/h3-9,11-12,19H,10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate has a molecular weight of 341.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 97230239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).