tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate

C20H24N4O2S — CID 164524704

IUPACtert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNc2c(N)cnc3ccsc23)cc1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)24-11-14-6-4-13(5-7-14)10-23-17-15(21)12-22-16-8-9-27-18(16)17/h4-9,12H,10-11,21H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyOZGFRHDIERCNOZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 164524704) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate
PubChem CID164524704
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Nametert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CNc2c(N)cnc3ccsc23)cc1
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)24-11-14-6-4-13(5-7-14)10-23-17-15(21)12-22-16-8-9-27-18(16)17/h4-9,12H,10-11,21H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyOZGFRHDIERCNOZ-UHFFFAOYSA-N
XLogP4.52
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[[4-[[(5-nitrothieno[2,3-b]pyridin-4-yl)amino]methyl]phenyl]methyl]carbamate
CID 164524836
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
tert-butyl N-[3-[[(3-aminoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 164926469
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[[4-[(5-amino-2-chloropyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethane
CID 144742959
tert-butyl N-[[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244246
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate (CID 164524704) is tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CNc2c(N)cnc3ccsc23)cc1.
What is the InChIKey of tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is OZGFRHDIERCNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)26-19(25)24-11-14-6-4-13(5-7-14)10-23-17-15(21)12-22-16-8-9-27-18(16)17/h4-9,12H,10-11,21H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 384.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 164524704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).