ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate

C15H13FN4O4S2 — CID 121467114

IUPACethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cc(F)sc1NC(=O)C1Nc2ncccc2S1
InChIInChI=1S/C15H13FN4O4S2/c1-2-24-15(23)20-11(21)7-6-9(16)26-13(7)19-12(22)14-18-10-8(25-14)4-3-5-17-10/h3-6,14H,2H2,1H3,(H,17,18)(H,19,22)(H,20,21,23)
InChIKeyWITAHQSEGIMKGV-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.65
Rot. Bonds4

About ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate

ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate (PubChem CID 121467114) has the molecular formula C15H13FN4O4S2 and a molecular weight of 396.43 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate
PubChem CID121467114
Molecular FormulaC15H13FN4O4S2
Molecular Weight396.43 g/mol
Exact Mass396.04
IUPAC Nameethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cc(F)sc1NC(=O)C1Nc2ncccc2S1
InChIInChI=1S/C15H13FN4O4S2/c1-2-24-15(23)20-11(21)7-6-9(16)26-13(7)19-12(22)14-18-10-8(25-14)4-3-5-17-10/h3-6,14H,2H2,1H3,(H,17,18)(H,19,22)(H,20,21,23)
InChIKeyWITAHQSEGIMKGV-UHFFFAOYSA-N
XLogP2.65
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate (CID 121467114) is ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)C1Nc2ncccc2S1.
What is the InChIKey of ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate?
The InChIKey is WITAHQSEGIMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S2/c1-2-24-15(23)20-11(21)7-6-9(16)26-13(7)19-12(22)14-18-10-8(25-14)4-3-5-17-10/h3-6,14H,2H2,1H3,(H,17,18)(H,19,22)(H,20,21,23).
What are the key properties of ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate?
ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate has a molecular weight of 396.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121467114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).