2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C24H26N2O2S — CID 55670905

IUPAC2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN(C(=O)c2csc(Cc3ccccc3)n2)C(C)C2CC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(20-10-11-20)26(15-19-8-12-21(28-2)13-9-19)24(27)22-16-29-23(25-22)14-18-6-4-3-5-7-18/h3-9,12-13,16-17,20H,10-11,14-15H2,1-2H3
InChIKeyGVDGJXXFPUUYOH-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.18
Rot. Bonds8

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

2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55670905) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID55670905
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN(C(=O)c2csc(Cc3ccccc3)n2)C(C)C2CC2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(20-10-11-20)26(15-19-8-12-21(28-2)13-9-19)24(27)22-16-29-23(25-22)14-18-6-4-3-5-7-18/h3-9,12-13,16-17,20H,10-11,14-15H2,1-2H3
InChIKeyGVDGJXXFPUUYOH-UHFFFAOYSA-N
XLogP5.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617053
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195383
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55552254

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 55670905) is 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CN(C(=O)c2csc(Cc3ccccc3)n2)C(C)C2CC2)cc1.
What is the InChIKey of 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GVDGJXXFPUUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17(20-10-11-20)26(15-19-8-12-21(28-2)13-9-19)24(27)22-16-29-23(25-22)14-18-6-4-3-5-7-18/h3-9,12-13,16-17,20H,10-11,14-15H2,1-2H3.
What are the key properties of 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55670905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).