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

C16H13FN4O4S2 — CID 121464861

IUPACpropan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1
InChIInChI=1S/C16H13FN4O4S2/c1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15/h3-7H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyQDFYHLLVSDXXBX-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.42
Rot. Bonds4

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

propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464861) has the molecular formula C16H13FN4O4S2 and a molecular weight of 408.44 g/mol. Its IUPAC name is propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464861
Molecular FormulaC16H13FN4O4S2
Molecular Weight408.44 g/mol
Exact Mass408.04
IUPAC Namepropan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1
InChIInChI=1S/C16H13FN4O4S2/c1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15/h3-7H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyQDFYHLLVSDXXBX-UHFFFAOYSA-N
XLogP3.42
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464861) is propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1cc(F)sc1NC(=O)c1nc2cccnc2s1.
What is the InChIKey of propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is QDFYHLLVSDXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S2/c1-7(2)25-16(24)21-11(22)8-6-10(17)26-13(8)20-12(23)15-19-9-4-3-5-18-14(9)27-15/h3-7H,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 408.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).