N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide

C21H30N4O3S — CID 3300880

IUPACN-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NC(C)(C)C)cs1
InChIInChI=1S/C21H30N4O3S/c1-6-15-9-7-8-10-16(15)23-20(27)25(11-12-28-5)13-18-22-17(14-29-18)19(26)24-21(2,3)4/h7-10,14H,6,11-13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyWOMCJJYSGFFZSR-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.91
Rot. Bonds8

About N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide

N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3300880) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID3300880
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NC(C)(C)C)cs1
InChIInChI=1S/C21H30N4O3S/c1-6-15-9-7-8-10-16(15)23-20(27)25(11-12-28-5)13-18-22-17(14-29-18)19(26)24-21(2,3)4/h7-10,14H,6,11-13H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyWOMCJJYSGFFZSR-UHFFFAOYSA-N
XLogP3.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3908248
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 42769572
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 3895341
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 4213496
methyl 2-[[(2-methylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 42766922
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
N-propyl-2-[[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765731
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-piperidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 4308382
methyl 2-[[naphthalen-1-ylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196447
methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 3969919
ethyl 2-[[(2-methylphenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198268

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide (CID 3300880) is N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)N(CCOC)Cc1nc(C(=O)NC(C)(C)C)cs1.
What is the InChIKey of N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WOMCJJYSGFFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-6-15-9-7-8-10-16(15)23-20(27)25(11-12-28-5)13-18-22-17(14-29-18)19(26)24-21(2,3)4/h7-10,14H,6,11-13H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide?
N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).