N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide

C23H28N8O4S4 — CID 59707903

IUPACN-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)NCCO)s4)n3)cs2)sc1C(=O)NCCO
InChIInChI=1S/C23H28N8O4S4/c1-11-15(17(34)24-5-7-32)38-21(26-11)30-19-28-13(9-36-19)23(3,4)14-10-37-20(29-14)31-22-27-12(2)16(39-22)18(35)25-6-8-33/h9-10,32-33H,5-8H2,1-4H3,(H,24,34)(H,25,35)(H,26,28,30)(H,27,29,31)
InChIKeyGFPMPMPHFBNDFT-UHFFFAOYSA-N
MW608.80 g/mol
LogP3.39
Rot. Bonds12

About N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59707903) has the molecular formula C23H28N8O4S4 and a molecular weight of 608.80 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID59707903
Molecular FormulaC23H28N8O4S4
Molecular Weight608.80 g/mol
Exact Mass608.11
IUPAC NameN-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)NCCO)s4)n3)cs2)sc1C(=O)NCCO
InChIInChI=1S/C23H28N8O4S4/c1-11-15(17(34)24-5-7-32)38-21(26-11)30-19-28-13(9-36-19)23(3,4)14-10-37-20(29-14)31-22-27-12(2)16(39-22)18(35)25-6-8-33/h9-10,32-33H,5-8H2,1-4H3,(H,24,34)(H,25,35)(H,26,28,30)(H,27,29,31)
InChIKeyGFPMPMPHFBNDFT-UHFFFAOYSA-N
XLogP3.39
TPSA174.28 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500608.80
LogP ≤ 53.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[[4-[2-[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 59707829
2-[[4-[[2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 59707833

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 59707903) is N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2nc(C(C)(C)c3csc(Nc4nc(C)c(C(=O)NCCO)s4)n3)cs2)sc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GFPMPMPHFBNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O4S4/c1-11-15(17(34)24-5-7-32)38-21(26-11)30-19-28-13(9-36-19)23(3,4)14-10-37-20(29-14)31-22-27-12(2)16(39-22)18(35)25-6-8-33/h9-10,32-33H,5-8H2,1-4H3,(H,24,34)(H,25,35)(H,26,28,30)(H,27,29,31).
What are the key properties of N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 608.80 g/mol, XLogP of 3.39, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[4-[2-[2-[[5-(2-hydroxyethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]propan-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59707903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).