2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

C27H20N4OS2 — CID 43955366

IUPAC2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C27H20N4OS2/c1-17(31-21-11-2-4-13-23(21)33-24-14-5-3-12-22(24)31)25(32)29-19-9-6-8-18(16-19)26-30-20-10-7-15-28-27(20)34-26/h2-17H,1H3,(H,29,32)
InChIKeyKNSNGELASMPVMO-UHFFFAOYSA-N
MW480.62 g/mol
LogP6.99
Rot. Bonds4

About 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide

2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 43955366) has the molecular formula C27H20N4OS2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
PubChem CID43955366
Molecular FormulaC27H20N4OS2
Molecular Weight480.62 g/mol
Exact Mass480.11
IUPAC Name2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C27H20N4OS2/c1-17(31-21-11-2-4-13-23(21)33-24-14-5-3-12-22(24)31)25(32)29-19-9-6-8-18(16-19)26-30-20-10-7-15-28-27(20)34-26/h2-17H,1H3,(H,29,32)
InChIKeyKNSNGELASMPVMO-UHFFFAOYSA-N
XLogP6.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
CID 43955372
2-(4-ethoxyphenoxy)-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955384
2-phenothiazin-10-yl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16872907
3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141326
2-phenothiazin-10-yl-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873155
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
(2R)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1107338
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 7087656
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515

Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide (CID 43955366) is 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is CC(C(=O)Nc1cccc(-c2nc3cccnc3s2)c1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is KNSNGELASMPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4OS2/c1-17(31-21-11-2-4-13-23(21)33-24-14-5-3-12-22(24)31)25(32)29-19-9-6-8-18(16-19)26-30-20-10-7-15-28-27(20)34-26/h2-17H,1H3,(H,29,32).
What are the key properties of 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide?
2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 480.62 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 43955366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).