2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

C21H30N4O4S — CID 4693411

IUPAC2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NC(C)C(C)C)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H30N4O4S/c1-14(2)15(3)22-20(26)18-13-30-19(24-18)12-25(10-11-28-4)21(27)23-16-6-8-17(29-5)9-7-16/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyHZEHOPBQGUPCQI-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.61
Rot. Bonds10

About 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 4693411) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID4693411
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC Name2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NC(C)C(C)C)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H30N4O4S/c1-14(2)15(3)22-20(26)18-13-30-19(24-18)12-25(10-11-28-4)21(27)23-16-6-8-17(29-5)9-7-16/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyHZEHOPBQGUPCQI-UHFFFAOYSA-N
XLogP3.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 3411938
N-cyclopropyl-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4030133
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 3342044
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4679622
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 5025418
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3908248
N-[5-(diethylamino)pentan-2-yl]-2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
CID 5133696
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 4529382
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 3376434
N-butyl-2-[[butyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4001180

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 4693411) is 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is COCCN(Cc1nc(C(=O)NC(C)C(C)C)cs1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HZEHOPBQGUPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-14(2)15(3)22-20(26)18-13-30-19(24-18)12-25(10-11-28-4)21(27)23-16-6-8-17(29-5)9-7-16/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4693411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).