N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide

C20H21N5O2S2 — CID 71655757

IUPACN-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc4nc(NCCN(C)C)sc4c3s2)c1
InChIInChI=1S/C20H21N5O2S2/c1-25(2)10-9-21-19-22-14-7-8-15-17(16(14)28-19)29-20(23-15)24-18(26)12-5-4-6-13(11-12)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyFRWFLKRVPIXHNA-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.14
Rot. Bonds7

About N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide

N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide (PubChem CID 71655757) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide
PubChem CID71655757
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC NameN-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccc4nc(NCCN(C)C)sc4c3s2)c1
InChIInChI=1S/C20H21N5O2S2/c1-25(2)10-9-21-19-22-14-7-8-15-17(16(14)28-19)29-20(23-15)24-18(26)12-5-4-6-13(11-12)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,22)(H,23,24,26)
InChIKeyFRWFLKRVPIXHNA-UHFFFAOYSA-N
XLogP4.14
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide (CID 71655757) is N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3ccc4nc(NCCN(C)C)sc4c3s2)c1.
What is the InChIKey of N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide?
The InChIKey is FRWFLKRVPIXHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c1-25(2)10-9-21-19-22-14-7-8-15-17(16(14)28-19)29-20(23-15)24-18(26)12-5-4-6-13(11-12)27-3/h4-8,11H,9-10H2,1-3H3,(H,21,22)(H,23,24,26).
What are the key properties of N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide?
N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide has a molecular weight of 427.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 71655757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).