(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide

C23H28N8O2S4 — CID 143179830

IUPAC(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/N=c2/scc(Cc3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C(=O)N(C)C
InChIInChI=1S/C23H28N8O2S4/c1-12-16(18(32)28(3)4)36-21(24-12)27-22-31(8)15(11-35-22)9-14-10-34-20(25-14)26-23-30(7)13(2)17(37-23)19(33)29(5)6/h10-11H,9H2,1-8H3/b26-23+,27-22+
InChIKeyBTJIUIUOQIUZLN-FKOWUXHCSA-N
MW576.80 g/mol
LogP3.48
Rot. Bonds6

About (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide

(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide (PubChem CID 143179830) has the molecular formula C23H28N8O2S4 and a molecular weight of 576.80 g/mol. Its IUPAC name is (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide
PubChem CID143179830
Molecular FormulaC23H28N8O2S4
Molecular Weight576.80 g/mol
Exact Mass576.12
IUPAC Name(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/N=c2/scc(Cc3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C(=O)N(C)C
InChIInChI=1S/C23H28N8O2S4/c1-12-16(18(32)28(3)4)36-21(24-12)27-22-31(8)15(11-35-22)9-14-10-34-20(25-14)26-23-30(7)13(2)17(37-23)19(33)29(5)6/h10-11H,9H2,1-8H3/b26-23+,27-22+
InChIKeyBTJIUIUOQIUZLN-FKOWUXHCSA-N
XLogP3.48
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide (CID 143179830) is (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide is Cc1nc(/N=c2/scc(Cc3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C(=O)N(C)C.
What is the InChIKey of (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BTJIUIUOQIUZLN-FKOWUXHCSA-N. The full InChI is InChI=1S/C23H28N8O2S4/c1-12-16(18(32)28(3)4)36-21(24-12)27-22-31(8)15(11-35-22)9-14-10-34-20(25-14)26-23-30(7)13(2)17(37-23)19(33)29(5)6/h10-11H,9H2,1-8H3/b26-23+,27-22+.
What are the key properties of (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide?
(2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide has a molecular weight of 576.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-[[(2E)-2-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]imino]-3-methyl-1,3-thiazol-4-yl]methyl]-1,3-thiazol-2-yl]imino]-N,N,3,4-tetramethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143179830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).