2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

C32H34N8O2S2 — CID 15180013

IUPAC2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3cc2s1
InChIInChI=1S/C32H34N8O2S2/c41-29(21-37-11-15-39(16-12-37)23-7-3-1-4-8-23)35-31-33-25-19-26-28(20-27(25)43-31)44-32(34-26)36-30(42)22-38-13-17-40(18-14-38)24-9-5-2-6-10-24/h1-10,19-20H,11-18,21-22H2,(H,33,35,41)(H,34,36,42)
InChIKeyKGQIKRQHGIALEQ-UHFFFAOYSA-N
MW626.81 g/mol
LogP4.43
Rot. Bonds8

About 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide

2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (PubChem CID 15180013) has the molecular formula C32H34N8O2S2 and a molecular weight of 626.81 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
PubChem CID15180013
Molecular FormulaC32H34N8O2S2
Molecular Weight626.81 g/mol
Exact Mass626.22
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3cc2s1
InChIInChI=1S/C32H34N8O2S2/c41-29(21-37-11-15-39(16-12-37)23-7-3-1-4-8-23)35-31-33-25-19-26-28(20-27(25)43-31)44-32(34-26)36-30(42)22-38-13-17-40(18-14-38)24-9-5-2-6-10-24/h1-10,19-20H,11-18,21-22H2,(H,33,35,41)(H,34,36,42)
InChIKeyKGQIKRQHGIALEQ-UHFFFAOYSA-N
XLogP4.43
TPSA96.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.81
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide with MolForge

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Related Compounds

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CID 54466738
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CID 30863551
2-[4-(3-bromophenyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 54412217
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(4,6-diphenylpyrimidin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 50751160
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 171364462
2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179987
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
N-[6-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289472
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide (CID 15180013) is 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CCN(c5ccccc5)CC4)sc3cc2s1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
The InChIKey is KGQIKRQHGIALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O2S2/c41-29(21-37-11-15-39(16-12-37)23-7-3-1-4-8-23)35-31-33-25-19-26-28(20-27(25)43-31)44-32(34-26)36-30(42)22-38-13-17-40(18-14-38)24-9-5-2-6-10-24/h1-10,19-20H,11-18,21-22H2,(H,33,35,41)(H,34,36,42).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide?
2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide has a molecular weight of 626.81 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-[2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide is sourced from PubChem (CID 15180013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).