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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Related Compounds

N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
N-phenyl-5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophene-2-carboxamide
CID 44526918
(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241943
N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-methoxybenzamide
CID 979776
2-Ethoxy-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 3283143
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)-9H-xanthene-9-carboxamide
CID 15944887
9-methyl-N-(3-pyridyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877802
N-[[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 45166266
N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1,3-benzothiazole-5-carboxamide
CID 155195287
2-[[7-(2-Methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241948
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91754804
4-ethoxy-2-(4-fluorophenyl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 122431404

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).