2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine

C15H14N4O4S2 — CID 54160371

IUPAC2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESCOC(=O)Nc1cn2cc(Sc3ccc(NS(=O)O)cc3)ccc2n1
InChIInChI=1S/C15H14N4O4S2/c1-23-15(20)17-13-9-19-8-12(6-7-14(19)16-13)24-11-4-2-10(3-5-11)18-25(21)22/h2-9,18H,1H3,(H,17,20)(H,21,22)
InChIKeyHKUNBTRWKRCHCB-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.21
Rot. Bonds5

About 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine

2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine (PubChem CID 54160371) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine
PubChem CID54160371
Molecular FormulaC15H14N4O4S2
Molecular Weight378.44 g/mol
Exact Mass378.05
IUPAC Name2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESCOC(=O)Nc1cn2cc(Sc3ccc(NS(=O)O)cc3)ccc2n1
InChIInChI=1S/C15H14N4O4S2/c1-23-15(20)17-13-9-19-8-12(6-7-14(19)16-13)24-11-4-2-10(3-5-11)18-25(21)22/h2-9,18H,1H3,(H,17,20)(H,21,22)
InChIKeyHKUNBTRWKRCHCB-UHFFFAOYSA-N
XLogP3.21
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine (CID 54160371) is 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine is COC(=O)Nc1cn2cc(Sc3ccc(NS(=O)O)cc3)ccc2n1.
What is the InChIKey of 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine?
The InChIKey is HKUNBTRWKRCHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c1-23-15(20)17-13-9-19-8-12(6-7-14(19)16-13)24-11-4-2-10(3-5-11)18-25(21)22/h2-9,18H,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine?
2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine has a molecular weight of 378.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-6-[4-(sulfinoamino)phenyl]sulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 54160371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).