N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide

C23H23N3O2S — CID 3954335

IUPACN-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(CN(Cc2ccccc2)C(=O)C2CC2)n1
InChIInChI=1S/C23H23N3O2S/c27-22(24-13-17-7-3-1-4-8-17)20-16-29-21(25-20)15-26(23(28)19-11-12-19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,27)
InChIKeyDXAOAJFSEVZGOU-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.01
Rot. Bonds8

About N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3954335) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID3954335
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(CN(Cc2ccccc2)C(=O)C2CC2)n1
InChIInChI=1S/C23H23N3O2S/c27-22(24-13-17-7-3-1-4-8-17)20-16-29-21(25-20)15-26(23(28)19-11-12-19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,27)
InChIKeyDXAOAJFSEVZGOU-UHFFFAOYSA-N
XLogP4.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[benzyl-[(3-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765763
N-butyl-2-[[butyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3323759
2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195959
N-[(4-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765751
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[(2-phenylcyclopropanecarbonyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 4031668
N-[(4-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl-octanoylamino]methyl]-1,3-thiazole-4-carboxamide
CID 42765616
N-[(4-fluorophenyl)methyl]-2-[[(4-fluorophenyl)methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765640
N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 129052685
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054
N-benzyl-2-(4-pyridin-2-ylbutyl)-1,3-thiazole-4-carboxamide
CID 160926011
2-[[benzoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide (CID 3954335) is N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(CN(Cc2ccccc2)C(=O)C2CC2)n1.
What is the InChIKey of N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DXAOAJFSEVZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22(24-13-17-7-3-1-4-8-17)20-16-29-21(25-20)15-26(23(28)19-11-12-19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2,(H,24,27).
What are the key properties of N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3954335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).