3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

C25H23N5O2S2 — CID 146371317

IUPAC3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCNCC1
InChIInChI=1S/C25H23N5O2S2/c31-24(29-25-28-19-5-6-21-22(23(19)34-25)27-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-11-30-9-7-26-8-10-30/h1-6,13-15,26H,7-12H2,(H,28,29,31)
InChIKeyYURADBVAKYRWHV-UHFFFAOYSA-N
MW489.63 g/mol
LogP4.60
Rot. Bonds6

About 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 146371317) has the molecular formula C25H23N5O2S2 and a molecular weight of 489.63 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID146371317
Molecular FormulaC25H23N5O2S2
Molecular Weight489.63 g/mol
Exact Mass489.13
IUPAC Name3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCNCC1
InChIInChI=1S/C25H23N5O2S2/c31-24(29-25-28-19-5-6-21-22(23(19)34-25)27-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-11-30-9-7-26-8-10-30/h1-6,13-15,26H,7-12H2,(H,28,29,31)
InChIKeyYURADBVAKYRWHV-UHFFFAOYSA-N
XLogP4.60
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide (CID 146371317) is 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is O=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is YURADBVAKYRWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S2/c31-24(29-25-28-19-5-6-21-22(23(19)34-25)27-15-33-21)18-13-16-3-1-2-4-17(16)14-20(18)32-12-11-30-9-7-26-8-10-30/h1-6,13-15,26H,7-12H2,(H,28,29,31).
What are the key properties of 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide?
3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 489.63 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethoxy)-N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 146371317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).