N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

C21H15N3O2S — CID 121363705

IUPACN-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H15N3O2S/c25-21(23-11-20-24-17-3-1-2-4-19(17)27-20)13-5-6-16-15-7-8-22-10-14(15)12-26-18(16)9-13/h1-10H,11-12H2,(H,23,25)
InChIKeyUXBFDWZBLLCEIB-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.18
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363705) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363705
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H15N3O2S/c25-21(23-11-20-24-17-3-1-2-4-19(17)27-20)13-5-6-16-15-7-8-22-10-14(15)12-26-18(16)9-13/h1-10H,11-12H2,(H,23,25)
InChIKeyUXBFDWZBLLCEIB-UHFFFAOYSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363705) is N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is UXBFDWZBLLCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-21(23-11-20-24-17-3-1-2-4-19(17)27-20)13-5-6-16-15-7-8-22-10-14(15)12-26-18(16)9-13/h1-10H,11-12H2,(H,23,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).