N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C22H24N4O5S — CID 19611054

IUPACN-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)Nc3ccc(N(C)C)cc3)cs2)cc1OC
InChIInChI=1S/C22H24N4O5S/c1-26(2)14-8-6-13(7-9-14)23-21(28)16-12-32-22(24-16)25-20(27)15-10-18(30-4)19(31-5)11-17(15)29-3/h6-12H,1-5H3,(H,23,28)(H,24,25,27)
InChIKeyBPYJAVFPALDCQL-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.74
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 19611054) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID19611054
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)Nc3ccc(N(C)C)cc3)cs2)cc1OC
InChIInChI=1S/C22H24N4O5S/c1-26(2)14-8-6-13(7-9-14)23-21(28)16-12-32-22(24-16)25-20(27)15-10-18(30-4)19(31-5)11-17(15)29-3/h6-12H,1-5H3,(H,23,28)(H,24,25,27)
InChIKeyBPYJAVFPALDCQL-UHFFFAOYSA-N
XLogP3.74
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611247
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
methyl 2-[4-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 115423636
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611084
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 19611054) is N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1cc(OC)c(C(=O)Nc2nc(C(=O)Nc3ccc(N(C)C)cc3)cs2)cc1OC.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BPYJAVFPALDCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-26(2)14-8-6-13(7-9-14)23-21(28)16-12-32-22(24-16)25-20(27)15-10-18(30-4)19(31-5)11-17(15)29-3/h6-12H,1-5H3,(H,23,28)(H,24,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 19611054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).