2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C63H53N15O4S5 — CID 126661827

IUPAC2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc(C3CN(c4ccncc4NC(=O)c4csc(-c5cc(C6CN(c7ccncc7NC(=O)c7csc(-c8cc9ccccc9s8)n7)CCN6)c6sccc6c5)n4)CCN3)c3occc3c2)n1
InChIInChI=1S/C63H53N15O4S5/c79-58(70-43-28-65-10-5-51(43)76-17-13-64-14-18-76)48-33-84-61(73-48)39-23-37-8-21-82-56(37)41(25-39)46-31-77(19-15-68-46)52-6-11-66-29-44(52)71-59(80)49-34-85-62(74-49)40-24-38-9-22-83-57(38)42(26-40)47-32-78(20-16-69-47)53-7-12-67-30-45(53)72-60(81)50-35-86-63(75-50)55-27-36-3-1-2-4-54(36)87-55/h1-12,21-30,33-35,46-47,64,68-69H,13-20,31-32H2,(H,70,79)(H,71,80)(H,72,81)
InChIKeyAHPGLZIVONANHE-UHFFFAOYSA-N
MW1244.55 g/mol
LogP11.89
Rot. Bonds14

About 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 126661827) has the molecular formula C63H53N15O4S5 and a molecular weight of 1244.55 g/mol. Its IUPAC name is 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID126661827
Molecular FormulaC63H53N15O4S5
Molecular Weight1244.55 g/mol
Exact Mass1243.30
IUPAC Name2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc(C3CN(c4ccncc4NC(=O)c4csc(-c5cc(C6CN(c7ccncc7NC(=O)c7csc(-c8cc9ccccc9s8)n7)CCN6)c6sccc6c5)n4)CCN3)c3occc3c2)n1
InChIInChI=1S/C63H53N15O4S5/c79-58(70-43-28-65-10-5-51(43)76-17-13-64-14-18-76)48-33-84-61(73-48)39-23-37-8-21-82-56(37)41(25-39)46-31-77(19-15-68-46)52-6-11-66-29-44(52)71-59(80)49-34-85-62(74-49)40-24-38-9-22-83-57(38)42(26-40)47-32-78(20-16-69-47)53-7-12-67-30-45(53)72-60(81)50-35-86-63(75-50)55-27-36-3-1-2-4-54(36)87-55/h1-12,21-30,33-35,46-47,64,68-69H,13-20,31-32H2,(H,70,79)(H,71,80)(H,72,81)
InChIKeyAHPGLZIVONANHE-UHFFFAOYSA-N
XLogP11.89
TPSA223.59 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001244.55
LogP ≤ 511.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 126661827) is 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc(C3CN(c4ccncc4NC(=O)c4csc(-c5cc(C6CN(c7ccncc7NC(=O)c7csc(-c8cc9ccccc9s8)n7)CCN6)c6sccc6c5)n4)CCN3)c3occc3c2)n1.
What is the InChIKey of 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AHPGLZIVONANHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N15O4S5/c79-58(70-43-28-65-10-5-51(43)76-17-13-64-14-18-76)48-33-84-61(73-48)39-23-37-8-21-82-56(37)41(25-39)46-31-77(19-15-68-46)52-6-11-66-29-44(52)71-59(80)49-34-85-62(74-49)40-24-38-9-22-83-57(38)42(26-40)47-32-78(20-16-69-47)53-7-12-67-30-45(53)72-60(81)50-35-86-63(75-50)55-27-36-3-1-2-4-54(36)87-55/h1-12,21-30,33-35,46-47,64,68-69H,13-20,31-32H2,(H,70,79)(H,71,80)(H,72,81).
What are the key properties of 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1244.55 g/mol, XLogP of 11.89, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126661827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).