2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide

C21H27ClN4O3S — CID 3376434

IUPAC2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NC2CCCCC2)cs1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O3S/c1-29-12-11-26(21(28)24-17-9-7-15(22)8-10-17)13-19-25-18(14-30-19)20(27)23-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyDYBJQJXZUYJCPW-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.54
Rot. Bonds8

About 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide

2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide (PubChem CID 3376434) has the molecular formula C21H27ClN4O3S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
PubChem CID3376434
Molecular FormulaC21H27ClN4O3S
Molecular Weight450.99 g/mol
Exact Mass450.15
IUPAC Name2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NC2CCCCC2)cs1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O3S/c1-29-12-11-26(21(28)24-17-9-7-15(22)8-10-17)13-19-25-18(14-30-19)20(27)23-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,27)(H,24,28)
InChIKeyDYBJQJXZUYJCPW-UHFFFAOYSA-N
XLogP4.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4030133
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 3342044
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 3411938
1-[[4-(4-benzhydrylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(4-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42769533
3-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]urea
CID 42769540
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 4693411
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7144729
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5219781
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42769539
2-[[(3,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 5126664

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide (CID 3376434) is 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide is COCCN(Cc1nc(C(=O)NC2CCCCC2)cs1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide?
The InChIKey is DYBJQJXZUYJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3S/c1-29-12-11-26(21(28)24-17-9-7-15(22)8-10-17)13-19-25-18(14-30-19)20(27)23-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide?
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3376434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).