N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C23H34N4O5S — CID 139772989

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)N(C)c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC
InChIInChI=1S/C23H34N4O5S/c1-14(2)27(15(3)4)10-9-24-21(28)17-13-33-23(25-17)26(5)22(29)16-11-19(31-7)20(32-8)12-18(16)30-6/h11-15H,9-10H2,1-8H3,(H,24,28)
InChIKeyFISBBTGWGCYPGZ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.29
Rot. Bonds11

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 139772989) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID139772989
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)N(C)c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC
InChIInChI=1S/C23H34N4O5S/c1-14(2)27(15(3)4)10-9-24-21(28)17-13-33-23(25-17)26(5)22(29)16-11-19(31-7)20(32-8)12-18(16)30-6/h11-15H,9-10H2,1-8H3,(H,24,28)
InChIKeyFISBBTGWGCYPGZ-UHFFFAOYSA-N
XLogP3.29
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 139772989) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1cc(OC)c(C(=O)N(C)c2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is FISBBTGWGCYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-14(2)27(15(3)4)10-9-24-21(28)17-13-33-23(25-17)26(5)22(29)16-11-19(31-7)20(32-8)12-18(16)30-6/h11-15H,9-10H2,1-8H3,(H,24,28).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 139772989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).