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

C15H12N4O4S2 — CID 121465035

IUPACethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1
InChIInChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-3-5-16-7-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyMDCBBDWWRXOSFQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.89
Rot. Bonds4

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

ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121465035) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121465035
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC Nameethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1
InChIInChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-3-5-16-7-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyMDCBBDWWRXOSFQ-UHFFFAOYSA-N
XLogP2.89
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121465035) is ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccncc2s1.
What is the InChIKey of ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is MDCBBDWWRXOSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-3-5-16-7-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 376.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-([1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121465035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).