ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate

C16H15N3O2S — CID 121024653

IUPACethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C
InChIInChI=1S/C16H15N3O2S/c1-3-21-16(20)19-12-7-6-11(9-10(12)2)14-18-13-5-4-8-17-15(13)22-14/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyJPEJAVFVQXHSGS-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.24
Rot. Bonds3

About ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate

ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 121024653) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
PubChem CID121024653
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Nameethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C
InChIInChI=1S/C16H15N3O2S/c1-3-21-16(20)19-12-7-6-11(9-10(12)2)14-18-13-5-4-8-17-15(13)22-14/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyJPEJAVFVQXHSGS-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 7087656
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
2-(2,5-dimethylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024504
2-(4-ethoxyphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024502
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 7087663
2-(2-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024575
2-(4-fluorophenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024589
2-(3-bromophenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 40998801
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 121024490
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate (CID 121024653) is ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C.
What is the InChIKey of ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is JPEJAVFVQXHSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-21-16(20)19-12-7-6-11(9-10(12)2)14-18-13-5-4-8-17-15(13)22-14/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 313.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 121024653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).