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

C15H11FN4O4S2 — CID 121464930

IUPACethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1
InChIInChI=1S/C15H11FN4O4S2/c1-2-24-15(23)20-10(21)7-6-9(16)25-12(7)19-11(22)14-18-8-4-3-5-17-13(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyCWIRQBFOBCUGSM-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.03
Rot. Bonds4

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

ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464930) has the molecular formula C15H11FN4O4S2 and a molecular weight of 394.41 g/mol. Its IUPAC name is ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464930
Molecular FormulaC15H11FN4O4S2
Molecular Weight394.41 g/mol
Exact Mass394.02
IUPAC Nameethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1
InChIInChI=1S/C15H11FN4O4S2/c1-2-24-15(23)20-10(21)7-6-9(16)25-12(7)19-11(22)14-18-8-4-3-5-17-13(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyCWIRQBFOBCUGSM-UHFFFAOYSA-N
XLogP3.03
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl N-[2-(2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)-5-fluorothiophene-3-carbonyl]carbamate
CID 121467114
ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464885
ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465032
ethyl N-[2-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581527
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
ethyl N-[2-[[4-(dimethylamino)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464893
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 7521531
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86582126
2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121467082
ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
CID 79471397

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464930) is ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.
What is the InChIKey of ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is CWIRQBFOBCUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4S2/c1-2-24-15(23)20-10(21)7-6-9(16)25-12(7)19-11(22)14-18-8-4-3-5-17-13(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 394.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).