(2E)-2-[[4-[[(2E)-2-[(5-formyl-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

C21H23N7O2S4 — CID 143179836

IUPAC(2E)-2-[[4-[[(2E)-2-[(5-formyl-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
InChIInChI=1S/C21H23N7O2S4/c1-11-15(8-29)33-19(22-11)25-20-28(6)14(10-32-20)7-13-9-31-18(23-13)24-21-27(5)12(2)16(34-21)17(30)26(3)4/h8-10H,7H2,1-6H3/b24-21+,25-20+
InChIKeyNTANJEYRMNSAOR-AHFQXZGMSA-N
MW533.73 g/mol
LogP3.59
Rot. Bonds6

About (2E)-2-[[4-[[(2E)-2-[(5-formyl-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-formyl-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 143179836) has the molecular formula C21H23N7O2S4 and a molecular weight of 533.73 g/mol. Its IUPAC name is (2E)-2-[[4-[[(2E)-2-[(5-formyl-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-formyl-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 CID143179836
Molecular FormulaC21H23N7O2S4
Molecular Weight533.73 g/mol
Exact Mass533.08
IUPAC Name(2E)-2-[[4-[[(2E)-2-[(5-formyl-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
InChIInChI=1S/C21H23N7O2S4/c1-11-15(8-29)33-19(22-11)25-20-28(6)14(10-32-20)7-13-9-31-18(23-13)24-21-27(5)12(2)16(34-21)17(30)26(3)4/h8-10H,7H2,1-6H3/b24-21+,25-20+
InChIKeyNTANJEYRMNSAOR-AHFQXZGMSA-N
XLogP3.59
TPSA97.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.73
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2E)-2-[[4-[[(2E)-2-[(5-formyl-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-formyl-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-formyl-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 143179836) is (2E)-2-[[4-[[(2E)-2-[(5-formyl-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-formyl-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-formyl-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.
What is the InChIKey of (2E)-2-[[4-[[(2E)-2-[(5-formyl-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 NTANJEYRMNSAOR-AHFQXZGMSA-N. The full InChI is InChI=1S/C21H23N7O2S4/c1-11-15(8-29)33-19(22-11)25-20-28(6)14(10-32-20)7-13-9-31-18(23-13)24-21-27(5)12(2)16(34-21)17(30)26(3)4/h8-10H,7H2,1-6H3/b24-21+,25-20+.
What are the key properties of (2E)-2-[[4-[[(2E)-2-[(5-formyl-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-formyl-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 533.73 g/mol, XLogP of 3.59, 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-formyl-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 143179836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).