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

C28H22N4OS2 — CID 43955372

IUPACN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
SMILESCc1c(NC(=O)C(C)N2c3ccccc3Sc3ccccc32)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C28H22N4OS2/c1-17-19(27-31-21-11-8-16-29-28(21)35-27)9-7-10-20(17)30-26(33)18(2)32-22-12-3-5-14-24(22)34-25-15-6-4-13-23(25)32/h3-16,18H,1-2H3,(H,30,33)
InChIKeyUHEBGIOTLIBSOD-UHFFFAOYSA-N
MW494.65 g/mol
LogP7.30
Rot. Bonds4

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

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide (PubChem CID 43955372) has the molecular formula C28H22N4OS2 and a molecular weight of 494.65 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
PubChem CID43955372
Molecular FormulaC28H22N4OS2
Molecular Weight494.65 g/mol
Exact Mass494.12
IUPAC NameN-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide
SMILESCc1c(NC(=O)C(C)N2c3ccccc3Sc3ccccc32)cccc1-c1nc2cccnc2s1
InChIInChI=1S/C28H22N4OS2/c1-17-19(27-31-21-11-8-16-29-28(21)35-27)9-7-10-20(17)30-26(33)18(2)32-22-12-3-5-14-24(22)34-25-15-6-4-13-23(25)32/h3-16,18H,1-2H3,(H,30,33)
InChIKeyUHEBGIOTLIBSOD-UHFFFAOYSA-N
XLogP7.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.65
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenothiazin-10-yl-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 43955366
2-(3-methylphenoxy)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024920
(E)-3-(2-chlorophenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024942
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16815202
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 122162419
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806801
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048421
N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
CID 4559680

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide (CID 43955372) is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide is Cc1c(NC(=O)C(C)N2c3ccccc3Sc3ccccc32)cccc1-c1nc2cccnc2s1.
What is the InChIKey of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide?
The InChIKey is UHEBGIOTLIBSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4OS2/c1-17-19(27-31-21-11-8-16-29-28(21)35-27)9-7-10-20(17)30-26(33)18(2)32-22-12-3-5-14-24(22)34-25-15-6-4-13-23(25)32/h3-16,18H,1-2H3,(H,30,33).
What are the key properties of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide?
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide has a molecular weight of 494.65 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 43955372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).