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

C21H24N4O5S — CID 4679622

IUPACN-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCc2ccco2)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H24N4O5S/c1-28-11-9-25(21(27)23-15-5-7-16(29-2)8-6-15)13-19-24-18(14-31-19)20(26)22-12-17-4-3-10-30-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXZFLGZWOHJZWLE-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.36
Rot. Bonds10

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

N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 4679622) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID4679622
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCc2ccco2)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H24N4O5S/c1-28-11-9-25(21(27)23-15-5-7-16(29-2)8-6-15)13-19-24-18(14-31-19)20(26)22-12-17-4-3-10-30-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXZFLGZWOHJZWLE-UHFFFAOYSA-N
XLogP3.36
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260
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-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 4693411
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 5025418
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 3342044
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4263175
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3956928

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 4679622) is N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide is COCCN(Cc1nc(C(=O)NCc2ccco2)cs1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XZFLGZWOHJZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-28-11-9-25(21(27)23-15-5-7-16(29-2)8-6-15)13-19-24-18(14-31-19)20(26)22-12-17-4-3-10-30-17/h3-8,10,14H,9,11-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4679622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).