tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate

C19H20N2O3S — CID 143138189

IUPACtert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCc1ccc(Oc2cncc3sc(NC(=O)OC(C)(C)C)cc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-5-7-13(8-6-12)23-15-10-20-11-16-14(15)9-17(25-16)21-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyPXIBFBGZOTWKRC-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.74
Rot. Bonds3

About tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate

tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate (PubChem CID 143138189) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
PubChem CID143138189
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Nametert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate
SMILESCc1ccc(Oc2cncc3sc(NC(=O)OC(C)(C)C)cc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-12-5-7-13(8-6-12)23-15-10-20-11-16-14(15)9-17(25-16)21-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,21,22)
InChIKeyPXIBFBGZOTWKRC-UHFFFAOYSA-N
XLogP5.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
CID 59015272
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
tert-butyl N-(4-methylphenoxy)carbamate
CID 10104993
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[(4-fluorothieno[2,3-c]pyridine-2-carbonyl)amino]carbamate
CID 169101294
tert-butyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
CID 166604363
tert-butyl N-[2-(1-hydroxybutyl)thieno[2,3-c]pyridin-3-yl]carbamate
CID 143422122
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate (CID 143138189) is tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate is Cc1ccc(Oc2cncc3sc(NC(=O)OC(C)(C)C)cc23)cc1.
What is the InChIKey of tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate?
The InChIKey is PXIBFBGZOTWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-5-7-13(8-6-12)23-15-10-20-11-16-14(15)9-17(25-16)21-18(22)24-19(2,3)4/h5-11H,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate?
tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate has a molecular weight of 356.45 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methylphenoxy)thieno[2,3-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 143138189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).