N,N-dimethylmethanamine;(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

C24H32N8O2S4 — CID 143179835

IUPACN,N-dimethylmethanamine;(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
SMILESCN(C)C.Cc1nc(/N=c2/scc(Cc3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C=O
InChIInChI=1S/C21H23N7O2S4.C3H9N/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;1-4(2)3/h8-10H,7H2,1-6H3;1-3H3/b24-21+,25-20+;
InChIKeyJONNMUQAWFTRIQ-XOAXDDLESA-N
MW592.84 g/mol
LogP3.76
Rot. Bonds6

About N,N-dimethylmethanamine;(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

N,N-dimethylmethanamine;(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 143179835) has the molecular formula C24H32N8O2S4 and a molecular weight of 592.84 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(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 NameN,N-dimethylmethanamine;(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 CID143179835
Molecular FormulaC24H32N8O2S4
Molecular Weight592.84 g/mol
Exact Mass592.15
IUPAC NameN,N-dimethylmethanamine;(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
SMILESCN(C)C.Cc1nc(/N=c2/scc(Cc3csc(/N=c4/sc(C(=O)N(C)C)c(C)n4C)n3)n2C)sc1C=O
InChIInChI=1S/C21H23N7O2S4.C3H9N/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;1-4(2)3/h8-10H,7H2,1-6H3;1-3H3/b24-21+,25-20+;
InChIKeyJONNMUQAWFTRIQ-XOAXDDLESA-N
XLogP3.76
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(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 N,N-dimethylmethanamine;(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 143179835) is N,N-dimethylmethanamine;(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 N,N-dimethylmethanamine;(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 N,N-dimethylmethanamine;(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 CN(C)C.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 N,N-dimethylmethanamine;(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 JONNMUQAWFTRIQ-XOAXDDLESA-N. The full InChI is InChI=1S/C21H23N7O2S4.C3H9N/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;1-4(2)3/h8-10H,7H2,1-6H3;1-3H3/b24-21+,25-20+;.
What are the key properties of N,N-dimethylmethanamine;(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?
N,N-dimethylmethanamine;(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 592.84 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(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 143179835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).